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L84

L84
Name:	(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
Formula:	C34 H37 F3 N2 O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCCN2CCCCC2)cc1
InChi:	InChI=1S/C34H37F3N2O6S/c35-34(36,37)22-39(25-9-15-28(16-10-25)44-20-4-19-38-17-2-1-3-18-38)46(42,43)30-21-29-31(23-5-11-26(40)12-6-23)32(33(30)45-29)24-7-13-27(41)14-8-24/h5-16,29-30,33,40-41H,1-4,17-22H2/t29-,30+,33+/m0/s1
Definition date:	2019-02-11
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

ODB

ODB
Name:	(10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
Formula:	C33 H46 N8 O5 S
SMILES:	NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1=O)C(N)=O
InChi:	InChI=1S/C33H46N8O5S/c34-31(45)28-21-47-20-25-10-4-2-8-23(25)17-40(16-22-7-1-3-9-24(22)19-42)18-30(44)41-14-6-11-26(41)15-29(43)38-27(32(46)39-28)12-5-13-37-33(35)36/h1-4,7-10,26-28,42H,5-6,11-21H2,(H2,34,45)(H,38,43)(H,39,46)(H4,35,36,37)/t26-,27-,28-/m0/s1
Synonyms:	P2 macrocycle
Definition date:	2020-02-27
Last modified:	2021-08-28
Release date:	2020-03-18
Identifier:	(10~{S},14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide

MRQ

MRQ
Name:	(14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide
Formula:	C30 H38 N8 O5 S
SMILES:	NC(=N)NCCC[CH]1NC(=O)Cc2cccn2C(=O)CN(Cc3occc3)Cc4ccccc4CSC[CH](NC1=O)C(N)=O
InChi:	InChI=1S/C30H38N8O5S/c31-28(41)25-19-44-18-21-7-2-1-6-20(21)15-37(16-23-9-5-13-43-23)17-27(40)38-12-4-8-22(38)14-26(39)35-24(29(42)36-25)10-3-11-34-30(32)33/h1-2,4-9,12-13,24-25H,3,10-11,14-19H2,(H2,31,41)(H,35,39)(H,36,42)(H4,32,33,34)/t24-,25-/m0/s1
Synonyms:	macrocycle N14-PR4-A
Definition date:	2019-10-22
Last modified:	2021-08-28
Release date:	2020-09-30
Identifier:	(14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide

2WV

2WV
Name:	(3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
Formula:	C30 H54 O3
SMILES:	C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O
InChi:	InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23+,24+,25-,26+,27+,29+,30-/m1/s1
Synonyms:	CAR-S
Definition date:	2021-06-23
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(3~{S},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol

XY7

XY7
Name:	1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione
Formula:	C9 H12 F N2 O7 P
SMILES:	C2(NC(=O)N(C1OC(C(C1F)O)COP(O)O)C=C2)=O
InChi:	InChI=1S/C9H12FN2O7P/c10-6-7(14)4(3-18-20(16)17)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14,16-17H,3H2,(H,11,13,15)/t4-,6-,7-,8-/m0/s1
Definition date:	2021-01-19
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione

ZS1

ZS1
Name:	(1Z)-1-imino-1H-isoindol-3-amine
Formula:	C8 H7 N3
SMILES:	N=C1N=C(N)c2ccccc12
InChi:	InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1Z)-1-imino-1H-isoindol-3-amine

ZS7

ZS7
Name:	3-amino-1H-isoindol-1-one
Formula:	C8 H6 N2 O
SMILES:	NC1=NC(=O)c2ccccc12
InChi:	InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	3-amino-1H-isoindol-1-one

ZSA

ZSA
Name:	(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
Formula:	C9 H10 N6
SMILES:	N=C(N)NN=C1/N=C(N)c2ccccc21
InChi:	InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide

ZSD

ZSD
Name:	6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
Formula:	C18 H24 N8 O
SMILES:	CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1
InChi:	InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine

ZSG

ZSG
Name:	(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
Formula:	C15 H22 N8 O
SMILES:	CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
InChi:	InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

ZSJ

ZSJ
Name:	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
Formula:	C10 H15 N O S
SMILES:	CSc1ccc(CNCCO)cc1
InChi:	InChI=1S/C10H15NOS/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol

ZSM

ZSM
Name:	(1,4-phenylene)bis(methylene) dicarbamimidothioate
Formula:	C10 H14 N4 S2
SMILES:	N=C(N)SCc1ccc(CSC(=N)N)cc1
InChi:	InChI=1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1,4-phenylene)bis(methylene) dicarbamimidothioate

ZSS

ZSS
Name:	(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate
Formula:	C9 H11 Cl N2 S
SMILES:	Clc1ccc(cc1)C(C)SC(=N)N
InChi:	InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate

ZSY

ZSY
Name:	N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
Formula:	C19 H17 N3 O3
SMILES:	O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1
InChi:	InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide

UDV

UDV
Name:	6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]
Formula:	C23 H19 Cl N6
SMILES:	c4(C)nnc5C1(CC1)N=C(c2c(ccc(c2)c3cn(C)nc3)n45)c6ccc(cc6)Cl
InChi:	InChI=1S/C23H19ClN6/c1-14-27-28-22-23(9-10-23)26-21(15-3-6-18(24)7-4-15)19-11-16(5-8-20(19)30(14)22)17-12-25-29(2)13-17/h3-8,11-13H,9-10H2,1-2H3
Definition date:	2020-05-08
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]

UE2

UE2
Name:	(R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
Formula:	C26 H38 N6 O2
SMILES:	CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3)C2
InChi:	InChI=1S/C26H38N6O2/c1-25(2)10-13-31(14-11-25)16-20-5-7-21(8-6-20)24(33)28-17-26(34)9-4-12-32(18-26)23-15-22(27-3)29-19-30-23/h5-8,15,19,34H,4,9-14,16-18H2,1-3H3,(H,28,33)(H,27,29,30)/t26-/m1/s1
Synonyms:	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide
Definition date:	2021-02-11
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide

YRM

YRM
Name:	(5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
Formula:	C17 H18 F3 N5 O2
SMILES:	FC(F)(F)c1cc(n2cncc2c1)N1CCC2(NC(=O)NC2=O)C(C)(C)C1
InChi:	InChI=1S/C17H18F3N5O2/c1-15(2)8-24(4-3-16(15)13(26)22-14(27)23-16)12-6-10(17(18,19)20)5-11-7-21-9-25(11)12/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,26,27)/t16-/m1/s1
Definition date:	2021-03-29
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

YRP

YRP
Name:	(2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide
Formula:	C22 H20 Cl F2 N3 O
SMILES:	Clc1ccc(cc1)NC(=O)C(C)C1C2CC(CC21)n1cnc2cc(F)c(F)cc21
InChi:	InChI=1S/C22H20ClF2N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11-,14-,15-,16+,21+/m1/s1
Definition date:	2021-03-29
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide

UF8

UF8
Name:	2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
Formula:	C21 H17 N O3 S2
SMILES:	O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5
InChi:	InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
Synonyms:	2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one
Definition date:	2021-02-12
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one

UGK

UGK
Name:	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
Formula:	C23 H21 F N6 O3
SMILES:	COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C
InChi:	InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
Definition date:	2021-02-16
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one

STQ

STQ
Name:	(1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine
Formula:	C10 H13 N
SMILES:	N[CH]1CCCc2ccccc12
InChi:	InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1
Definition date:	2020-09-01
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine

ZHU

ZHU
Name:	Alchivemycin A
Formula:	C35 H51 N O5
SMILES:	CC=C(C)C(=O)C[CH]1C[CH](O)[CH](C)CCCCC=C(C)[CH]2C=C[CH]3C[CH](C)C[CH](C)[CH]3[CH]2C(=O)C4=C(O)C[N]1C4=O
InChi:	InChI=1S/C35H51NO5/c1-7-21(3)28(37)17-26-18-29(38)23(5)12-10-8-9-11-22(4)27-14-13-25-16-20(2)15-24(6)31(25)32(27)34(40)33-30(39)19-36(26)35(33)41/h7,11,13-14,20,23-27,29,31-32,38-39H,8-10,12,15-19H2,1-6H3/b21-7+,22-11+/t20-,23-,24+,25-,26-,27+,29-,31+,32+/m0/s1
Definition date:	2021-07-21
Last modified:	2021-08-27
Release date:	2021-09-01

XSS

XSS
Name:	1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:	C37 H44 F6 N6 O9 S
SMILES:	C46C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC(C)(C)C(F)(F)F)=O)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6
InChi:	InChI=1S/C37H44F6N6O9S/c1-33(2,37(41,42)43)58-32(53)46-24-11-9-7-5-6-8-10-20-18-35(20,31(52)48-59(54,55)34(3)14-15-34)47-28(50)26-17-22(19-49(26)30(24)51)57-29-27(36(38,39)40)44-25-16-21(56-4)12-13-23(25)45-29/h8,10,12-13,16,20,22,24,26H,5-7,9,11,14-15,17-19H2,1-4H3,(H,46,53)(H,47,50)(H,48,52)/b10-8-/t20-,22-,24+,26+,35-/m1/s1
Synonyms:	NR01-129
Definition date:	2021-01-11
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

XSV

XSV
Name:	1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:	C38 H44 F6 N6 O9 S
SMILES:	C47C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5(CCC5)C(F)(F)F)=O)=O)(C(NS(C6(CC6)C)(=O)=O)=O)C7
InChi:	InChI=1S/C38H44F6N6O9S/c1-34(15-16-34)60(55,56)49-32(53)36-19-21(36)9-6-4-3-5-7-10-25(47-33(54)59-35(13-8-14-35)38(42,43)44)31(52)50-20-23(18-27(50)29(51)48-36)58-30-28(37(39,40)41)45-26-17-22(57-2)11-12-24(26)46-30/h6,9,11-12,17,21,23,25,27H,3-5,7-8,10,13-16,18-20H2,1-2H3,(H,47,54)(H,48,51)(H,49,53)/b9-6-/t21-,23-,25+,27+,36-/m1/s1
Synonyms:	NR02-59
Definition date:	2021-01-12
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

XSY

XSY
Name:	(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:	C39 H47 F3 N6 O9 S
SMILES:	C48C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5CC6C(C5)C6)=O)=O)(C(NS(C7(CC7)C)(=O)=O)=O)C8
InChi:	InChI=1S/C39H47F3N6O9S/c1-37(12-13-37)58(53,54)47-35(51)38-19-23(38)8-6-4-3-5-7-9-28(45-36(52)57-25-15-21-14-22(21)16-25)34(50)48-20-26(18-30(48)32(49)46-38)56-33-31(39(40,41)42)43-29-17-24(55-2)10-11-27(29)44-33/h6,8,10-11,17,21-23,25-26,28,30H,3-5,7,9,12-16,18-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b8-6-/t21-,22+,23-,25+,26-,28+,30+,38-/m1/s1
Definition date:	2021-01-12
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

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