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NOU

NOU
Name:	(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
Formula:	C9 H13 N3 O2
SMILES:	O=C(O)C(N)CCNc1ccccn1
InChi:	InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
Definition date:	2022-04-07
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid

NQ6

NQ6
Name:	N-(pyridin-2-yl)-L-asparagine
Formula:	C9 H11 N3 O3
SMILES:	O=C(Nc1ccccn1)CC(N)C(=O)O
InChi:	InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)/t6-/m0/s1
Definition date:	2022-04-07
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-(pyridin-2-yl)-L-asparagine

WGE

WGE
Name:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Formula:	C24 H33 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1ccccc1
InChi:	InChI=1S/C24H33N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,18-20,28H,4-5,8-16H2,(H,25,29)(H,26,30)/t18-,19-,20-/m0/s1
Definition date:	2023-05-12
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate

WGI

WGI
Name:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Formula:	C25 H35 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1
InChi:	InChI=1S/C25H35N3O5/c29-15-20(13-19-9-12-26-22(19)30)27-23(31)21-14-25(10-5-2-6-11-25)17-28(21)24(32)33-16-18-7-3-1-4-8-18/h1,3-4,7-8,19-21,29H,2,5-6,9-17H2,(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1
Definition date:	2023-05-12
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate

LQO

LQO
Name:	lacosamide
Formula:	C13 H18 N2 O3
SMILES:	CC(=O)NC(COC)C(=O)NCc1ccccc1
InChi:	InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Synonyms:	N~2~-acetyl-N-benzyl-O-methyl-D-serinamide
Definition date:	2023-04-12
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N~2~-acetyl-N-benzyl-O-methyl-D-serinamide

M5O

M5O
Name:	(2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol
Formula:	C15 H14 O6
SMILES:	O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc(O)c(O)c3
InChi:	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
Synonyms:	(-)-catechin
Definition date:	2022-07-22
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol

7TZ

7TZ
Name:	N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
Formula:	C32 H28 N6 O2
SMILES:	CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4
InChi:	InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-12-14-27-29(19-25)37-21(3)20(2)36-27)18-23-8-5-22(6-9-23)7-10-24-11-13-26-28(17-24)35-16-15-34-26/h5-6,8-9,11-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m0/s1
Definition date:	2023-03-10
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	~{N}-[(2~{S})-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide

6I9

6I9
Name:	N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
Formula:	C23 H25 N3 O
SMILES:	CC(C)C(=O)Nc1cc2c(nc(cc2N2CCC2)c2ccc(C)cc2)cc1
InChi:	InChI=1S/C23H25N3O/c1-15(2)23(27)24-18-9-10-20-19(13-18)22(26-11-4-12-26)14-21(25-20)17-7-5-16(3)6-8-17/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,27)
Definition date:	2023-04-20
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide

22R

22R
Name:	2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
Formula:	C17 H18 N2
SMILES:	Cc1[nH]c2ccc(cc2c1CCN)c3ccccc3
InChi:	InChI=1S/C17H18N2/c1-12-15(9-10-18)16-11-14(7-8-17(16)19-12)13-5-3-2-4-6-13/h2-8,11,19H,9-10,18H2,1H3
Definition date:	2022-01-26
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	2-(2-methyl-5-phenyl-1~{H}-indol-3-yl)ethanamine

IFK

IFK
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
Formula:	C29 H48 O3
SMILES:	C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3
InChi:	InChI=1S/C29H48O3/c1-20(10-8-16-28(3,4)32)24-12-6-7-13-25-23(11-9-17-29(24,25)5)15-14-22-18-26(30)21(2)27(31)19-22/h14-15,20,24-27,30-32H,2,6-13,16-19H2,1,3-5H3/b23-15+/t20-,24+,25+,26-,27-,29-/m1/s1
Definition date:	2023-08-01
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol

IG0

IG0
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol
Formula:	C29 H50 O3
SMILES:	C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH](C)[CH](O)C3
InChi:	InChI=1S/C29H50O3/c1-20(10-8-16-28(3,4)32)24-12-6-7-13-25-23(11-9-17-29(24,25)5)15-14-22-18-26(30)21(2)27(31)19-22/h14-15,20-21,24-27,30-32H,6-13,16-19H2,1-5H3/b22-14-,23-15+/t20-,21-,24+,25+,26-,27-,29-/m1/s1
Definition date:	2023-08-01
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol

JXF

JXF
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
Formula:	C16 H20 N2 O6 S
SMILES:	CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2ccccc2)C(O)=O
InChi:	InChI=1S/C16H20N2O6S/c1-16(2)12(15(22)23)18-13(25-16)11(14(20)21)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1
Definition date:	2022-08-30
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid

ZWY

ZWY
Name:	17-oxoandrost-5-en-3beta-yl hydrogen sulfate
Formula:	C19 H28 O5 S
SMILES:	O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
InChi:	InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
Synonyms:	Dehydroepiandrosterone sulfate
Definition date:	2023-04-17
Last modified:	2023-08-22
Release date:	2023-06-07
Identifier:	17-oxo-8alpha,10alpha,13alpha,14beta-androst-5-en-3alpha-yl hydrogen sulfate

NSO

NSO
Name:	~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
Formula:	C28 H28 F N7 O
SMILES:	CN1CCN(CC1)c2ccc(Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3)cc2
InChi:	InChI=1S/C28H28FN7O/c1-3-26(37)30-21-5-4-6-22(18-21)31-27-24-17-19(29)7-12-25(24)33-28(34-27)32-20-8-10-23(11-9-20)36-15-13-35(2)14-16-36/h3-12,17-18H,1,13-16H2,2H3,(H,30,37)(H2,31,32,33,34)
Definition date:	2023-01-18
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide

PWC

PWC
Name:	[(1~{S},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] 4-[2-(2-azanylhydrazinyl)ethyl]benzoate
Formula:	C37 H44 Cl N5 O9
SMILES:	CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCN=[N+]=[N-])cc3)[C]4(C)O[CH]4[CH](C)[CH]5C[C]1(O)NC(=O)O5
InChi:	InChI=1S/C37H44ClN5O9/c1-21-8-7-9-29(49-6)37(47)20-28(50-35(46)41-37)22(2)33-36(3,52-33)30(51-34(45)25-12-10-23(11-13-25)14-15-40-42-39)19-31(44)43(4)26-17-24(16-21)18-27(48-5)32(26)38/h7-13,17-18,22,28-30,33,47H,14-16,19-20H2,1-6H3,(H,41,46)/b9-7+,21-8+/t22-,28+,29-,30+,33+,36+,37+/m1/s1
Definition date:	2022-10-05
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	[(1~{S},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] 4-[2-(2-azanylhydrazinyl)ethyl]benzoate

PX0

PX0
Name:	(~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid
Formula:	C39 H53 Cl N2 O11
SMILES:	CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)CCCCCCCC=CC(O)=O)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4
InChi:	InChI=1S/C39H53ClN2O11/c1-24-15-14-16-30(50-6)39(48)23-29(51-37(47)41-39)25(2)36-38(3,53-36)31(52-34(46)18-13-11-9-7-8-10-12-17-33(44)45)22-32(43)42(4)27-20-26(19-24)21-28(49-5)35(27)40/h12,14-17,20-21,25,29-31,36,48H,7-11,13,18-19,22-23H2,1-6H3,(H,41,47)(H,44,45)/b16-14+,17-12-,24-15+/t25-,29-,30-,31+,36+,38+,39+/m1/s1
Definition date:	2022-10-05
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	(~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid

UFX

UFX
Name:	4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
Formula:	C19 H18 F2 N2 O4
SMILES:	FC(F)C(C)(O)C(NC(=O)c1ccc(cc1)C#CC#CC1CC1)C(=O)NO
InChi:	InChI=1S/C19H18F2N2O4/c1-19(26,18(20)21)15(17(25)23-27)22-16(24)14-10-8-13(9-11-14)5-3-2-4-12-6-7-12/h8-12,15,18,26-27H,6-7H2,1H3,(H,22,24)(H,23,25)/t15-,19+/m1/s1
Definition date:	2022-08-18
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide

Q0F

Q0F
Name:	[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] pent-4-enoate
Formula:	C33 H43 Cl N2 O9
SMILES:	CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)CCC=C)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4
InChi:	InChI=1S/C33H43ClN2O9/c1-8-9-13-28(38)44-26-17-27(37)36(5)22-15-21(16-23(41-6)29(22)34)14-19(2)11-10-12-25(42-7)33(40)18-24(43-31(39)35-33)20(3)30-32(26,4)45-30/h8,10-12,15-16,20,24-26,30,40H,1,9,13-14,17-18H2,2-7H3,(H,35,39)/b12-10+,19-11+/t20-,24-,25-,26+,30+,32+,33+/m1/s1
Definition date:	2022-10-05
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl] pent-4-enoate

XPK

XPK
Name:	[(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium
Formula:	C23 H35 N O2
SMILES:	[C-]#[N+]C(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC=O
InChi:	InChI=1S/C23H35NO2/c1-15(24-4)19-7-8-20-18-6-5-16-13-17(26-14-25)9-11-22(16,2)21(18)10-12-23(19,20)3/h14-21H,5-13H2,1-3H3/t15-,16+,17+,18+,19+,20-,21+,22+,23-/m1/s1
Definition date:	2022-12-05
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	(20R)-20-isocyano-5alpha,8alpha-pregnan-3alpha-yl formate

U86

U86
Name:	3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid
Formula:	C20 H20 N4 O2
SMILES:	CCc1nc(N)nc(N)c1Cc2ccc(cc2)c3cccc(c3)C(O)=O
InChi:	InChI=1S/C20H20N4O2/c1-2-17-16(18(21)24-20(22)23-17)10-12-6-8-13(9-7-12)14-4-3-5-15(11-14)19(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H4,21,22,23,24)
Definition date:	2023-05-24
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid

U8I

U8I
Name:	4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid
Formula:	C20 H20 N4 O2
SMILES:	CCc1nc(N)nc(N)c1Cc2cccc(c2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C20H20N4O2/c1-2-17-16(18(21)24-20(22)23-17)11-12-4-3-5-15(10-12)13-6-8-14(9-7-13)19(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H4,21,22,23,24)
Definition date:	2023-05-24
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid

U8Y

U8Y
Name:	3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid
Formula:	C20 H20 N4 O2
SMILES:	CCc1nc(N)nc(N)c1Cc2cccc(c2)c3cccc(c3)C(O)=O
InChi:	InChI=1S/C20H20N4O2/c1-2-17-16(18(21)24-20(22)23-17)10-12-5-3-6-13(9-12)14-7-4-8-15(11-14)19(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H4,21,22,23,24)
Definition date:	2023-05-24
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid

KH0

KH0
Name:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C31 H41 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O
InChi:	InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25-/m0/s1
Synonyms:	(S,S,S)-13b
Definition date:	2023-08-14
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

V3E

V3E
Name:	methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate
Formula:	C10 H13 N O3
SMILES:	COC(=O)[CH](N)Cc1ccccc1O
InChi:	InChI=1S/C10H13NO3/c1-14-10(13)8(11)6-7-4-2-3-5-9(7)12/h2-5,8,12H,6,11H2,1H3/t8-/m0/s1
Definition date:	2023-07-05
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate

0IH

0IH
Name:	(2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid
Formula:	C29 H20 Cl2 N6 O3 S
SMILES:	OC(=O)[CH](CN1C(=O)c2cc(ccc2N=C1c3sc(Cl)cc3)c4ccccc4c5[nH]nnn5)Cc6ccc(Cl)cc6
InChi:	InChI=1S/C29H20Cl2N6O3S/c30-19-8-5-16(6-9-19)13-18(29(39)40)15-37-27(24-11-12-25(31)41-24)32-23-10-7-17(14-22(23)28(37)38)20-3-1-2-4-21(20)26-33-35-36-34-26/h1-12,14,18H,13,15H2,(H,39,40)(H,33,34,35,36)/t18-/m1/s1
Definition date:	2022-10-03
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	(2~{R})-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid

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