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PDB Info pages Status search Chemie search: 39836 results BIRD

ZRY

ZRY
Name:	(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
Formula:	C14 H12 N4
SMILES:	N=C1N/C(=NNc2ccccc2)c2ccccc12
InChi:	InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine

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

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

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

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

W8M

W8M
Name:	2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate
Formula:	C27 H22 Cl2 N2 O3
SMILES:	c4(c1c(cccc1)Cl)c(c2c(cccc2)Cl)nc(c3cccc(c3OC(COC)=O)CC=C)n4
InChi:	InChI=1S/C27H22Cl2N2O3/c1-3-9-17-10-8-13-20(26(17)34-23(32)16-33-2)27-30-24(18-11-4-6-14-21(18)28)25(31-27)19-12-5-7-15-22(19)29/h3-8,10-15H,1,9,16H2,2H3,(H,30,31)
Definition date:	2020-09-29
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate

J3C

J3C
Name:	(7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
Formula:	C18 H19 N3 O2
SMILES:	Cc1nc2n(ccc3[CH](O)[CH](O)[CH](Nc23)c4ccccc4)c1C
InChi:	InChI=1S/C18H19N3O2/c1-10-11(2)21-9-8-13-15(18(21)19-10)20-14(17(23)16(13)22)12-6-4-3-5-7-12/h3-9,14,16-17,20,22-23H,1-2H3/t14-,16+,17+/m0/s1
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(7~{R},8~{R},9~{S})-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol

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

XT4

XT4
Name:	tert-butyl [(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 H47 F3 N6 O9 S
SMILES:	C15CC1(NC(C4CC(Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)CN4C(C(NC(OC(C)(C)C)=O)CCCCCC=C5)=O)=O)C(NS(C6(C)CC6)(=O)=O)=O
InChi:	InChI=1S/C37H47F3N6O9S/c1-34(2,3)55-33(50)43-25-12-10-8-6-7-9-11-21-19-36(21,32(49)45-56(51,52)35(4)15-16-35)44-29(47)27-18-23(20-46(27)31(25)48)54-30-28(37(38,39)40)41-26-17-22(53-5)13-14-24(26)42-30/h9,11,13-14,17,21,23,25,27H,6-8,10,12,15-16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b11-9-/t21-,23-,25+,27+,36-/m1/s1
Definition date:	2021-01-12
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	tert-butyl [(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

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

GJU

GJU
Name:	9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
Formula:	C14 H13 Cl F2 N6 O
SMILES:	C[CH](n1cnc2c(N)nc(Cl)nc12)c3cc(OCC(F)F)ccn3
InChi:	InChI=1S/C14H13ClF2N6O/c1-7(9-4-8(2-3-19-9)24-5-10(16)17)23-6-20-11-12(18)21-14(15)22-13(11)23/h2-4,6-7,10H,5H2,1H3,(H2,18,21,22)/t7-/m0/s1
Definition date:	2020-09-01
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine

GKU

GKU
Name:	4-[(2R)-2-(methylamino)propyl]phenol
Formula:	C10 H15 N O
SMILES:	CN[CH](C)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1
Definition date:	2020-09-04
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	4-[(2~{R})-2-(methylamino)propyl]phenol

YAJ

YAJ
Name:	~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide
Formula:	C16 H21 N3 O4
SMILES:	CN1C[CH](C[CH]1CO)NC(=O)Cc2ccc3OCC(=O)Nc3c2
InChi:	InChI=1S/C16H21N3O4/c1-19-7-11(6-12(19)8-20)17-15(21)5-10-2-3-14-13(4-10)18-16(22)9-23-14/h2-4,11-12,20H,5-9H2,1H3,(H,17,21)(H,18,22)/t11-,12+/m1/s1
Definition date:	2021-02-15
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide

0HJ

0HJ
Name:	6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Formula:	C62 H118 O13
SMILES:	CCCCCCC1CC1CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChi:	InChI=1S/C62H118O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-39-43-50(60(71)72-47-53-55(66)57(68)59(70)62(74-53)75-61-58(69)56(67)54(65)52(46-63)73-61)51(64)44-40-36-33-30-27-24-21-18-19-22-25-28-31-34-38-42-49-45-48(49)41-37-8-6-4-2/h48-59,61-70H,3-47H2,1-2H3/t48-,49-,50+,51+,52-,53-,54-,55-,56+,57+,58-,59-,61-,62-/m1/s1
Definition date:	2021-06-09
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside

2UI

2UI
Name:	(3R,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-R
Definition date:	2021-06-23
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(3~{R},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

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

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