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271

271
Name:	N-methyl-1-phenylmethanamine
Formula:	C8 H11 N
SMILES:	N(C)Cc1ccccc1
InChi:	InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
Definition date:	2007-10-10
Last modified:	2024-09-27
Identifier:	N-methyl-1-phenylmethanamine

9PR

9PR
Name:	N-methyl-L-prolinamide
Formula:	C6 H12 N2 O
SMILES:	O=C(NC)C1NCCC1
InChi:	InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2010-12-09
Last modified:	2024-09-27
Identifier:	N-methyl-L-prolinamide

27C

27C
Name:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose
Formula:	C9 H18 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(OCCCC)O
InChi:	InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1
Synonyms:	Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2011-05-11
Last modified:	2024-09-27
Identifier:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose

9QJ

9QJ
Name:	(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
Formula:	C14 H19 N2 O7 P
SMILES:	C(c1c(O)c(C)ncc1COP(O)(O)=O)C2C(=N)CC(C2)C(O)=O
InChi:	InChI=1S/C14H19N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h5,8-9,15,17H,2-4,6H2,1H3,(H,18,19)(H2,20,21,22)/b15-12+/t8-,9-/m0/s1
Definition date:	2017-05-26
Last modified:	2024-09-27
Release date:	2017-08-30
Identifier:	(1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid

9R1

9R1
Name:	(2S)-2-aminooctanedioic acid
Formula:	C8 H15 N O4
SMILES:	NC(CCCCCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2017-06-01
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	(2S)-2-aminooctanedioic acid

289

289
Name:	D-glycero-alpha-D-manno-heptopyranose
Formula:	C7 H14 O7
SMILES:	OC1C(O)C(OC(O)C1O)C(O)CO
InChi:	InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1
Synonyms:	D-glycero-alpha-D-manno-heptose
Definition date:	2007-11-09
Last modified:	2024-09-27
Identifier:	D-glycero-alpha-D-manno-heptopyranose

9R4

9R4
Name:	D-gamma-glutamyl-2-methyl-L-alanine
Formula:	C9 H16 N2 O5
SMILES:	NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O
InChi:	InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1
Definition date:	2017-06-01
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	D-gamma-glutamyl-2-methyl-L-alanine

9R7

9R7
Name:	L-gamma-glutamylglycine
Formula:	C7 H12 N2 O5
SMILES:	NC(CCC(NCC(O)=O)=O)C(=O)O
InChi:	InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
Definition date:	2017-06-02
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	L-gamma-glutamylglycine

28D

28D
Name:	(2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile
Formula:	C21 H18 N6 O3
SMILES:	N#C/C(n1ncnc1)=C/c2cc3c(cc2)nnc3c4cc(OC)c(OC)c(OC)c4
InChi:	InChI=1S/C21H18N6O3/c1-28-18-8-14(9-19(29-2)21(18)30-3)20-16-7-13(4-5-17(16)25-26-20)6-15(10-22)27-12-23-11-24-27/h4-9,11-12H,1-3H3,(H,25,26)
Definition date:	2013-09-09
Last modified:	2024-09-27
Release date:	2014-10-22
Identifier:	(2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile

28H

28H
Name:	(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid
Formula:	C7 H14 O3
SMILES:	O=C(O)C(C)C(O)C(C)C
InChi:	InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1
Definition date:	2013-09-10
Last modified:	2024-09-27
Release date:	2014-05-21
Identifier:	(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid

28J

28J
Name:	D-alloisoleucine
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
Definition date:	2013-09-10
Last modified:	2024-09-27
Release date:	2014-05-21
Identifier:	D-alloisoleucine

28K

28K
Name:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
Formula:	C7 H10 O4
SMILES:	O=C(O)C=CC1(OC1)C(O)C
InChi:	InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1
Definition date:	2013-09-10
Last modified:	2024-09-27
Release date:	2014-05-21
Identifier:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid

9RI

9RI
Name:	N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine
Formula:	C14 H26 N2 O2
SMILES:	CN(CCCCC(N)C(=O)O)C1CC2CCC1C2
InChi:	InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12-,13-/m0/s1
Definition date:	2021-10-26
Last modified:	2024-09-27
Release date:	2021-11-17
Identifier:	N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine

295

295
Name:	(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
Formula:	C9 H9 F O4
SMILES:	Fc1ccc(cc1)C(O)C(O)C(=O)O
InChi:	InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1
Definition date:	2007-11-27
Last modified:	2024-09-27
Identifier:	(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid

296

296
Name:	(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
Formula:	C10 H11 F2 N O3
SMILES:	O=C(O)C(F)(F)C(c1ccc(OC)cc1)N
InChi:	InChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)8(13)10(11,12)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m1/s1
Definition date:	2007-11-27
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid

299

299
Name:	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE
Formula:	C9 H9 O6 P
SMILES:	O=P(Oc1c(cc(cc1C=O)C)C=O)(O)O
InChi:	InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)
Synonyms:	RU78299
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	2,6-diformyl-4-methylphenyl dihydrogen phosphate

9S7

9S7
Name:	5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Formula:	C11 H18 F N O7
SMILES:	O=C(O)C1C(F)C(C(C(O1)C(O)CCO)NC(=O)C)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8+,9+,10+/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9SJ

9SJ
Name:	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Formula:	C11 H18 F N O7
SMILES:	O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9SL

9SL
Name:	[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:	C10 H17 N7 O4
SMILES:	C132C(CCN1C(=NC(COC(=O)N)C2NC(=N3)N)N)(O)O
InChi:	InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
Synonyms:	Saxitoxin
Definition date:	2018-07-18
Last modified:	2024-09-27
Release date:	2018-08-08
Identifier:	[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

29N

29N
Name:	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one
Formula:	C12 H21 N3 O3
SMILES:	O=C(N1CN(C(=O)CC)CN(C(=O)CC)C1)CC
InChi:	InChI=1S/C12H21N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-9H2,1-3H3
Synonyms:	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)triprop-2-en-1-one, bound form
Definition date:	2013-09-12
Last modified:	2024-09-27
Release date:	2014-02-05
Identifier:	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one

29O

29O
Name:	N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)
Formula:	C12 H12 Br3 N3 O3
SMILES:	O=C(Nc1cc(cc(c1)NC(=O)CBr)NC(=O)CBr)CBr
InChi:	InChI=1S/C12H12Br3N3O3/c13-4-10(19)16-7-1-8(17-11(20)5-14)3-9(2-7)18-12(21)6-15/h1-3H,4-6H2,(H,16,19)(H,17,20)(H,18,21)
Definition date:	2013-09-12
Last modified:	2024-09-27
Release date:	2014-02-05
Identifier:	N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)

29P

29P
Name:	3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid
Formula:	C20 H24 N2 O9
SMILES:	O=C(O)CCc1c(nc(c1CC(=O)O)C)CC2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O
InChi:	InChI=1S/C20H24N2O9/c1-9-12(6-18(27)28)10(2-4-16(23)24)14(21-9)8-15-13(7-19(29)30)11(20(31)22-15)3-5-17(25)26/h15,21H,2-8H2,1H3,(H,22,31)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t15-/m0/s1
Synonyms:	Dipyrromethanone
Definition date:	2013-09-12
Last modified:	2024-09-27
Release date:	2014-04-02
Identifier:	3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid

9SV

9SV
Name:	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
Formula:	C21 H20 N2 O2 S
SMILES:	C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C
InChi:	InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
Synonyms:	BOUND FORM
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2017-06-21
Identifier:	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione

9SW

9SW
Name:	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Formula:	C21 H41 O6 P
SMILES:	CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
InChi:	InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
Definition date:	2017-07-09
Last modified:	2024-09-27
Release date:	2018-01-24
Identifier:	methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid

9T1

9T1
Name:	5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
Formula:	C11 H16 F N O7
SMILES:	O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O
InChi:	InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
Definition date:	2017-06-07
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid

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