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MB5

MB5
Name:	(5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
Formula:	C21 H24 Cl N3 O
SMILES:	N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cc(cc4)Cl)n5)(C)C)C6
InChi:	InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1
Synonyms:	malbrancheamide B
Definition date:	2017-07-17
Last modified:	2021-03-01
Release date:	2017-08-16
Identifier:	(5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one

MBC

MBC
Name:	2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
Formula:	C19 H16 N6 O
SMILES:	n2c1c(ccc(C(=[N@H])N)c1)nc2c3oc(cc3)c4ccc(C(=[N@H])N)cc4
InChi:	InChI=1S/C19H16N6O/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25)
Synonyms:	DB 293
Definition date:	2006-08-18
Last modified:	2021-03-01
Identifier:	2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-benzimidazole-5-carboximidamide

511

511
Name:	[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
Formula:	C18 H14 Cl N O4
SMILES:	Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3)CC(=O)O
InChi:	InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)
Synonyms:	2'-desmethyl-indomethacin
Definition date:	2012-01-19
Last modified:	2021-03-01
Release date:	2013-03-06
Identifier:	[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid

VCA

VCA
Name:	VACCENIC ACID
Formula:	C18 H34 O2
SMILES:	O=C(O)CCCCCCCCCC=C/CCCCCC
InChi:	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
Synonyms:	(11E)-OCTADEC-11-ENOIC ACID
Definition date:	2005-07-20
Last modified:	2021-03-01
Identifier:	(11Z)-octadec-11-enoic acid

51V

51V
Name:	2-methylaniline
Formula:	C7 H9 N
SMILES:	c1cc(C)c(cc1)N
InChi:	InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
Synonyms:	o-Toluidine
Definition date:	2015-07-13
Last modified:	2021-03-01
Release date:	2016-08-03
Identifier:	2-methylaniline

VCG

VCG
Name:	2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside
Formula:	C32 H60 O10
SMILES:	C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC
InChi:	InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1
Synonyms:	Polysorbate 80
Definition date:	2020-07-28
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside

VDM

VDM
Name:	(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL
Formula:	C14 H25 N O8
SMILES:	OC2C(NC1C=C(CO)C(O)C(O)C1O)CC(C(O)C2O)CO
InChi:	InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
Synonyms:	VALIDOXYLAMINE
Definition date:	2007-01-25
Last modified:	2021-03-01
Identifier:	(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

VDY

VDY
Name:	3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
Formula:	C27 H44 O2
SMILES:	OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)/C(=C)CC3
InChi:	InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
Synonyms:	25-HYDROXYVITAMIN D3
Definition date:	2001-05-18
Last modified:	2021-03-01
Identifier:	(3S,5Z,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-3,25-diol

2AL

2AL
Name:	1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA
Formula:	C4 H4 N4 O3
SMILES:	O=C1C(=NC(=O)N1)NC(=O)N
InChi:	InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)
Synonyms:	ALLANTOIN
Definition date:	2006-02-07
Last modified:	2021-03-01
Identifier:	1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea

2AQ

2AQ
Name:	QUINOLIN-2-AMINE
Formula:	C9 H8 N2
SMILES:	n1c(ccc2ccccc12)N
InChi:	InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
Synonyms:	2-AMINOQUINOLINE
Definition date:	2007-01-12
Last modified:	2021-03-01
Identifier:	quinolin-2-amine

2AR

2AR
Name:	2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE
Formula:	C11 H16 N5 O5 P
SMILES:	O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O
InChi:	InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1
Synonyms:	[ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE
Definition date:	2000-05-04
Last modified:	2021-03-01
Identifier:	[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate

VF1

VF1
Name:	(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
Formula:	C28 H32 N2 O2
SMILES:	C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC
InChi:	InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1
Synonyms:	BU72
Definition date:	2020-08-05
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol

2BH

2BH
Name:	[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-)
Formula:	C6 H13 B N O5
SMILES:	O=C(O)C(N)CC/C=C/[B-](O)(O)O
InChi:	InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
Synonyms:	DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID
Definition date:	2004-06-15
Last modified:	2021-03-01
Identifier:	[(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-)

2BP

2BP
Name:	9H-purin-2-amine
Formula:	C5 H5 N5
SMILES:	n1cc2ncnc2nc1N
InChi:	InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
Synonyms:	2-AMINOPURINE
Definition date:	2009-02-05
Last modified:	2021-03-01
Identifier:	9H-purin-2-amine

2BT

2BT
Name:	2'-O-BUTYL-THYMIDINE
Formula:	C14 H23 N2 O9 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O
InChi:	InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1
Synonyms:	2'-O-BUTYL-5-METHYLURIDINE
Definition date:	2004-12-16
Last modified:	2021-03-01
Identifier:	2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate)

2BV

2BV
Name:	(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
Formula:	C18 H28 Cl2 N O3 P
SMILES:	Clc1ccc(cc1Cl)C(NCC(O)CP(=O)(O)CC2CCCCC2)C
InChi:	InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
Synonyms:	CGP 54626
Definition date:	2013-09-19
Last modified:	2021-03-01
Release date:	2013-12-11
Identifier:	(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid

2BX

2BX
Name:	[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Formula:	C8 H15 N O3
SMILES:	O=C(O)CC1OCC(NC1)(C)C
InChi:	InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
Synonyms:	SCH50911
Definition date:	2013-09-19
Last modified:	2021-03-01
Release date:	2013-12-11
Identifier:	[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid

2CR

2CR
Name:	(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
Formula:	C28 H43 N O6
SMILES:	O=C(O)C1CCCC1C2OC(=O)CC(O)C(C)CC(C)CC(C)CC(C(O)C(C#N)=CC=CC2)C
InChi:	InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1
Synonyms:	Borrelidin
Definition date:	2014-03-19
Last modified:	2021-03-01
Release date:	2015-03-11
Identifier:	(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid

VGP

VGP
Name:	(1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol
Formula:	C27 H28 O9
SMILES:	OC1C(OC(C(O)C)C1O)c5c4c3OC(O)c2cc(C=C)cc(OC)c2c3cc(OC)c4c(O)cc5
InChi:	InChI=1S/C27H28O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h5-11,22-24,26-32H,1H2,2-4H3/t11-,22-,23-,24+,26-,27-/m1/s1
Synonyms:	pregilvocarcin V
Definition date:	2010-11-30
Last modified:	2021-03-01
Identifier:	(1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol

VH2

VH2
Name:	N-[5-[(4-BROMOPHENYL)METHYL]-4-HYDROXY-1,3-THIAZOL-2-YL]NAPHTHALENE-1-SULFONAMIDE
Formula:	C20 H15 Br N2 O3 S2
SMILES:	Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4
InChi:	InChI=1S/C20H15BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,24H,12H2,(H,22,23)
Synonyms:	PITSTOP 2
Definition date:	2010-11-25
Last modified:	2021-03-01
Identifier:	N-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide

2ED

2ED
Name:	N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
Formula:	C20 H39 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C
InChi:	InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1
Synonyms:	C2-ceramide
Definition date:	2009-01-26
Last modified:	2021-03-01
Identifier:	N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide

2F0

2F0
Name:	2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
Formula:	C19 H21 Cl N4 O3
SMILES:	O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N
InChi:	InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+
Synonyms:	P32
Definition date:	2013-10-03
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide

2G7

2G7
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
Formula:	C19 H32 N3 O5 P
SMILES:	O=C(NCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:	InChI=1S/C19H32N3O5P/c1-14(2)10-17(18(23)20-11-15(3)4)22-28(25,26)13-21-19(24)27-12-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,20,23)(H,21,24)(H2,22,25,26)/t17-/m0/s1
Synonyms:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide
Definition date:	2013-10-11
Last modified:	2021-03-01
Release date:	2014-04-02
Identifier:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide

2GC

2GC
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid
Formula:	C23 H32 N3 O5 P
SMILES:	C(OC(=O)NCP(NC(CC(C)C)C(=O)NCCc1ccccc1)(=O)O)c2ccccc2
InChi:	InChI=1S/C23H32N3O5P/c1-18(2)15-21(22(27)24-14-13-19-9-5-3-6-10-19)26-32(29,30)17-25-23(28)31-16-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,24,27)(H,25,28)(H2,26,29,30)/t21-/m0/s1
Synonyms:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide
Definition date:	2013-10-11
Last modified:	2021-03-01
Release date:	2014-04-02
Identifier:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide

2GF

2GF
Name:	[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate
Formula:	C9 H11 Cl N3 O7 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(Cl)=C1)CC2=O
InChi:	InChI=1S/C9H11ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,6-7H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-/m1/s1
Synonyms:	5-CHLORO DEOXYCYTIDINE-5'-MONOPHOSPHATE
Definition date:	2013-10-15
Last modified:	2021-03-01
Release date:	2013-11-06
Identifier:	[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate

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