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RWP

RWP
Name:	methyl 4-[(trifluoroacetyl)amino]benzoate
Formula:	C10 H8 F3 N O3
SMILES:	c1cc(ccc1NC(=O)C(F)(F)F)C(=O)OC
InChi:	InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
Definition date:	2020-02-28
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	methyl 4-[(trifluoroacetyl)amino]benzoate

NV5

NV5
Name:	2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide
Formula:	C23 H18 N6 O2 S
SMILES:	Cn1c2ccccc2c3nnc(SCC(=O)Nc4ccc(Oc5ccccn5)cc4)nc13
InChi:	InChI=1S/C23H18N6O2S/c1-29-18-7-3-2-6-17(18)21-22(29)26-23(28-27-21)32-14-19(30)25-15-9-11-16(12-10-15)31-20-8-4-5-13-24-20/h2-13H,14H2,1H3,(H,25,30)
Definition date:	2019-12-16
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide

JUW

JUW
Name:	4-(1-methylindol-3-yl)pyrimidin-2-amine
Formula:	C13 H12 N4
SMILES:	Cn1cc(c2ccnc(N)n2)c3ccccc13
InChi:	InChI=1S/C13H12N4/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3,(H2,14,15,16)
Definition date:	2019-04-02
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	4-(1-methylindol-3-yl)pyrimidin-2-amine

JWZ

JWZ
Name:	4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
Formula:	C35 H57 N7 O2
SMILES:	CN(CCCN1CN(c2ccccc2)[C]3(CCN(CC[CH]4CC[CH]5C[CH]4C5(C)C)CC3)C1=O)CC6(O)CCN(CC6)C(N)=N
InChi:	InChI=1S/C35H57N7O2/c1-33(2)28-11-10-27(30(33)24-28)12-19-39-20-15-35(16-21-39)31(43)41(26-42(35)29-8-5-4-6-9-29)18-7-17-38(3)25-34(44)13-22-40(23-14-34)32(36)37/h4-6,8-9,27-28,30,44H,7,10-26H2,1-3H3,(H3,36,37)/t27-,28-,30-/m0/s1
Definition date:	2019-04-09
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	4-[[3-[8-[2-[(1~{S},2~{S},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethyl]-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]propyl-methyl-amino]methyl]-4-oxidanyl-piperidine-1-carboximidamide

U4Y

U4Y
Name:	(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid
Formula:	C23 H28 N6 O7 S
SMILES:	c1(N)ncnc2c1ncn2C4OC(CSCCC(NC(=O)[C@H]=[C@H]C3C=CC(C=C3)O)C(O)=O)C(C4O)O
InChi:	InChI=1S/C23H28N6O7S/c24-20-17-21(26-10-25-20)29(11-27-17)22-19(33)18(32)15(36-22)9-37-8-7-14(23(34)35)28-16(31)6-3-12-1-4-13(30)5-2-12/h1-6,10-15,18-19,22,30,32-33H,7-9H2,(H,28,31)(H,34,35)(H2,24,25,26)/b6-3+/t12-,13?,14-,15+,18+,19+,22+/m0/s1
Definition date:	2020-04-22
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid (non-preferred name)

JX5

JX5
Name:	(2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid
Formula:	C20 H25 I N4 O9
SMILES:	OC(=O)CC[CH](NC(=O)NC[CH](NC(=O)CCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
InChi:	InChI=1S/C20H25IN4O9/c21-12-5-3-11(4-6-12)17(29)22-9-1-2-15(26)24-14(19(32)33)10-23-20(34)25-13(18(30)31)7-8-16(27)28/h3-6,13-14H,1-2,7-10H2,(H,22,29)(H,24,26)(H,27,28)(H,30,31)(H,32,33)(H2,23,25,34)/t13-,14+/m0/s1
Definition date:	2019-04-10
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid

JX8

JX8
Name:	5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol
Formula:	C10 H7 N5 O
SMILES:	Oc1ccc(c2[nH]nnn2)c3cccnc13
InChi:	InChI=1S/C10H7N5O/c16-8-4-3-7(10-12-14-15-13-10)6-2-1-5-11-9(6)8/h1-5,16H,(H,12,13,14,15)
Definition date:	2019-04-10
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol

NN5

NN5
Name:	[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
Formula:	C25 H25 N5 O3
SMILES:	Cc1cc(cc(C)c1O)c2ccc3nc(Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2
InChi:	InChI=1S/C25H25N5O3/c1-16-13-20(14-17(2)23(16)31)19-5-8-22-27-25(28-30(22)15-19)26-21-6-3-18(4-7-21)24(32)29-9-11-33-12-10-29/h3-8,13-15,31H,9-12H2,1-2H3,(H,26,28)
Definition date:	2019-12-06
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone

N9A

N9A
Name:	(3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid
Formula:	C15 H21 N3 O4
SMILES:	C(O)(C(CC1CC(C(=O)O)NN1c2cc(CC)ccc2)N)=O
InChi:	InChI=1S/C15H21N3O4/c1-2-9-4-3-5-10(6-9)18-11(7-12(16)14(19)20)8-13(17-18)15(21)22/h3-6,11-13,17H,2,7-8,16H2,1H3,(H,19,20)(H,21,22)/t11-,12+,13-/m0/s1
Definition date:	2019-05-08
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid

N9D

N9D
Name:	(3R,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid
Formula:	C16 H23 N3 O4
SMILES:	c2c(ccc(N1C(CC(C(O)=O)N)CC(C(=O)O)N1)c2)CCC
InChi:	InChI=1S/C16H23N3O4/c1-2-3-10-4-6-11(7-5-10)19-12(8-13(17)15(20)21)9-14(18-19)16(22)23/h4-7,12-14,18H,2-3,8-9,17H2,1H3,(H,20,21)(H,22,23)/t12-,13+,14+/m0/s1
Definition date:	2019-05-08
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(3R,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid

K0H

K0H
Name:	methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate
Formula:	C36 H44 Cl N5 O7
SMILES:	CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(=O)OC)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34
InChi:	InChI=1S/C36H44ClN5O7/c1-4-25-11-10-23-15-19-39(31(23)34(47)40(25)21-30(44)49-3)33(46)29-13-12-26-14-17-36(35(48)42(26)29)16-7-18-41(36)32(45)28(38-22(2)43)20-24-8-5-6-9-27(24)37/h5-6,8-11,14,17,23,25-26,28-29,31H,4,7,12-13,15-16,18-21H2,1-3H3,(H,38,43)/t23-,25+,26-,28-,29-,31-,36+/m0/s1
Definition date:	2019-04-11
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate

K0K

K0K
Name:	2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid
Formula:	C35 H42 Cl N5 O7
SMILES:	CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(O)=O)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34
InChi:	InChI=1S/C35H42ClN5O7/c1-3-24-10-9-22-14-18-38(30(22)33(47)39(24)20-29(43)44)32(46)28-12-11-25-13-16-35(34(48)41(25)28)15-6-17-40(35)31(45)27(37-21(2)42)19-23-7-4-5-8-26(23)36/h4-5,7-10,13,16,22,24-25,27-28,30H,3,6,11-12,14-15,17-20H2,1-2H3,(H,37,42)(H,43,44)/t22-,24+,25-,27-,28-,30-,35+/m0/s1
Definition date:	2019-04-11
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid

K0T

K0T
Name:	(2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid
Formula:	C34 H45 N7 O6 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)N3CCCC[CH]3C(=O)N[CH](CCc4ccccc4)C(=O)N[CH](CCCNC(N)=N)C(O)=O
InChi:	InChI=1S/C34H45N7O6S/c1-40(2)28-17-8-14-25-24(28)13-9-18-30(25)48(46,47)41-22-7-6-16-29(41)32(43)38-26(20-19-23-11-4-3-5-12-23)31(42)39-27(33(44)45)15-10-21-37-34(35)36/h3-5,8-9,11-14,17-18,26-27,29H,6-7,10,15-16,19-22H2,1-2H3,(H,38,43)(H,39,42)(H,44,45)(H4,35,36,37)/t26-,27-,29-/m0/s1
Definition date:	2019-04-12
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid

K1N

K1N
Name:	(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
Formula:	C35 H40 Cl N5 O7
SMILES:	CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O
InChi:	InChI=1S/C35H40ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1
Definition date:	2019-04-16
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid

K1W

K1W
Name:	4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H21 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[CH]2Cc3ccccc3
InChi:	InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-13-16(21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

K1Z

K1Z
Name:	[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
Formula:	C23 H27 N10 O11 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C23H27N10O11P/c24-18-12-20(28-6-26-18)32(8-30-12)22-16(37)14(35)10(43-22)5-41-3-1-2-11-31-13-19(25)27-7-29-21(13)33(11)23-17(44-45(38,39)40)15(36)9(4-34)42-23/h6-10,14-17,22-23,34-37H,3-5H2,(H2,24,26,28)(H2,25,27,29)(H2,38,39,40)/t9-,10-,14-,15-,16-,17-,22-,23-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

T1R

T1R
Name:	(1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Formula:	C30 H40 N2 O8 S
SMILES:	c1c(ccc(c1)OC)S(=O)(N(CC(C)C)CC(O)C(NC(OC3C4CC2C(OCC2C3)O4)=O)Cc5ccccc5)=O
InChi:	InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(35,36)23-11-9-22(37-3)10-12-23)17-26(33)25(13-20-7-5-4-6-8-20)31-30(34)40-27-14-21-18-38-29-24(21)15-28(27)39-29/h4-12,19,21,24-29,33H,13-18H2,1-3H3,(H,31,34)/t21-,24-,25+,26-,27-,28+,29-/m1/s1
Definition date:	2020-01-31
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

K28

K28
Name:	[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
Formula:	C24 H30 N11 O10 P
SMILES:	CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C24H30N11O10P/c1-33(5-10-15(37)17(39)23(43-10)34-9-31-13-19(25)27-7-29-21(13)34)4-2-3-12-32-14-20(26)28-8-30-22(14)35(12)24-18(45-46(40,41)42)16(38)11(6-36)44-24/h7-11,15-18,23-24,36-39H,4-6H2,1H3,(H2,25,27,29)(H2,26,28,30)(H2,40,41,42)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1
Definition date:	2019-04-16
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

R2D

R2D
Name:	[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Formula:	C17 H11 Cl N2 O2 S
SMILES:	c32n(c1ccccc1n2)c(c(CC(=O)O)s3)c4ccc(cc4)Cl
InChi:	InChI=1S/C17H11ClN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)
Definition date:	2020-01-27
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid

T2R

T2R
Name:	(1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
Formula:	C33 H44 N4 O8 S
SMILES:	c1(NC(C)C)oc2c(n1)ccc(c2)S(=O)(N(CC(O)C(NC(OC4CC3C5C(OC3)OC4C5)=O)Cc6ccccc6)CC(C)C)=O
InChi:	InChI=1S/C33H44N4O8S/c1-19(2)16-37(46(40,41)23-10-11-25-28(14-23)44-32(35-25)34-20(3)4)17-27(38)26(12-21-8-6-5-7-9-21)36-33(39)45-29-13-22-18-42-31-24(22)15-30(29)43-31/h5-11,14,19-20,22,24,26-27,29-31,38H,12-13,15-18H2,1-4H3,(H,34,35)(H,36,39)/t22-,24-,26-,27+,29-,30+,31-/m0/s1
Definition date:	2020-01-31
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate

RG7

RG7
Name:	5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
Formula:	C23 H26 Cl2 F4 N4 O5 S2
SMILES:	c3(c1c(nc(C(=O)NCC(C)(C)O)s1)C(N2CCC(CC2)F)=O)c(Cl)c(c(cc3)S(NC(C)C(F)(F)F)(=O)=O)Cl
InChi:	InChI=1S/C23H26Cl2F4N4O5S2/c1-11(23(27,28)29)32-40(37,38)14-5-4-13(15(24)16(14)25)18-17(21(35)33-8-6-12(26)7-9-33)31-20(39-18)19(34)30-10-22(2,3)36/h4-5,11-12,32,36H,6-10H2,1-3H3,(H,30,34)/t11-/m0/s1
Definition date:	2020-02-12
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

R5G

R5G
Name:	N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide
Formula:	C17 H15 N3 O4
SMILES:	c2cc1c(cc(C(=O)NO)cc1)n2Cc3ccc(C(NO)=O)cc3
InChi:	InChI=1S/C17H15N3O4/c21-16(18-23)13-3-1-11(2-4-13)10-20-8-7-12-5-6-14(9-15(12)20)17(22)19-24/h1-9,23-24H,10H2,(H,18,21)(H,19,22)
Definition date:	2020-01-30
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide

KRZ

KRZ
Name:	(2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid
Formula:	C20 H25 I N4 O9
SMILES:	OC(=O)CC[CH](NC(=O)NCC[CH](NC(=O)CCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
InChi:	InChI=1S/C20H25IN4O9/c21-12-3-1-11(2-4-12)17(29)22-10-8-15(26)24-14(19(32)33)7-9-23-20(34)25-13(18(30)31)5-6-16(27)28/h1-4,13-14H,5-10H2,(H,22,29)(H,24,26)(H,27,28)(H,30,31)(H,32,33)(H2,23,25,34)/t13-,14-/m0/s1
Definition date:	2019-06-19
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid

LXW

LXW
Name:	(2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
Formula:	C26 H28 N4 O2
SMILES:	N[CH](C(c1ccccc1)c2ccccc2)C(=O)N3CCC[CH]3C(=O)NCc4ccncc4
InChi:	InChI=1S/C26H28N4O2/c27-24(23(20-8-3-1-4-9-20)21-10-5-2-6-11-21)26(32)30-17-7-12-22(30)25(31)29-18-19-13-15-28-16-14-19/h1-6,8-11,13-16,22-24H,7,12,17-18,27H2,(H,29,31)/t22-,24+/m0/s1
Definition date:	2019-09-27
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	(2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

OFN

OFN
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
Formula:	C41 H72 N7 O18 P3 S
SMILES:	CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1
Definition date:	2020-03-02
Last modified:	2020-05-08
Release date:	2020-05-13
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate

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