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HJY

HJY
Name:	4-iodo-N-methyl-D-phenylalanine
Formula:	C10 H12 I N O2
SMILES:	CNC(Cc1ccc(I)cc1)C(O)=O
InChi:	InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1
Definition date:	2018-07-09
Last modified:	2024-09-27
Release date:	2018-10-17
Identifier:	4-iodo-N-methyl-D-phenylalanine

HMF

HMF
Name:	2-AMINO-4-PHENYL-BUTYRIC ACID
Formula:	C10 H13 N O2
SMILES:	O=C(O)C(N)CCc1ccccc1
InChi:	InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
Synonyms:	D-BETA-HOMOPHENYLALANINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-amino-4-phenylbutanoic acid

HPD

HPD
Name:	1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE
Formula:	C5 H13 O7 P
SMILES:	O=P(O)(O)OCC(O)C(O)CCO
InChi:	InChI=1S/C5H13O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1
Synonyms:	OPEN FORM OF 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
Definition date:	2001-06-20
Last modified:	2024-09-27
Identifier:	2-deoxy-5-O-phosphono-D-erythro-pentitol

HSX

HSX
Name:	5-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H11 O8 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C1O
InChi:	InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
Synonyms:	5-O-phosphono-alpha-D-ribose
Definition date:	2009-01-16
Last modified:	2024-09-27
Identifier:	5-O-phosphono-alpha-D-ribofuranose

HTN

HTN
Name:	(3R)-3-hydroxy-N-methyl-D-asparagine
Formula:	C5 H10 N2 O4
SMILES:	O=C(NC)C(O)C(C(=O)O)N
InChi:	InChI=1S/C5H10N2O4/c1-7-4(9)3(8)2(6)5(10)11/h2-3,8H,6H2,1H3,(H,7,9)(H,10,11)/t2-,3-/m1/s1
Definition date:	2008-06-03
Last modified:	2024-09-27
Identifier:	(3R)-3-hydroxy-N-methyl-D-asparagine

HTY

HTY
Name:	(betaR)-beta-hydroxy-D-tyrosine
Formula:	C9 H11 N O4
SMILES:	O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1
Definition date:	2002-09-02
Last modified:	2024-09-27
Identifier:	(betaR)-beta-hydroxy-D-tyrosine

QH4

QH4
Name:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
Formula:	C32 H39 N7 O2
SMILES:	C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C
InChi:	InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1
Definition date:	2019-11-01
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile

QPJ

QPJ
Name:	2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol
Formula:	C5 H14 O10 P2
SMILES:	P(O)(O)(OCC(O)C(CCO)OP(O)(O)=O)=O
InChi:	InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1
Definition date:	2019-12-05
Last modified:	2024-09-27
Release date:	2022-03-09
Identifier:	2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol

0G6

0G6
Name:	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Formula:	C21 H34 Cl N6 O3
SMILES:	O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(N)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H33ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-18,29H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+,18-/m1/s1
Synonyms:	PPACK
Definition date:	2008-09-14
Last modified:	2024-09-27
Identifier:	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide

QS7

QS7
Name:	N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide
Formula:	C23 H23 Cl2 N5 O5
SMILES:	c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N3C)=O)NC4C(COC4)NC(=O)[C@H]=C
InChi:	InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
Definition date:	2019-12-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide

0JH

0JH
Name:	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Formula:	C24 H29 N5 O3
SMILES:	O=C(OC(C)(C)C)C(C#N)Cc2c(c1c(ncnc1n2CCCO)N)c3ccc(cc3)C
InChi:	InChI=1S/C24H29N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,14,17,30H,5,10-12H2,1-4H3,(H2,26,27,28)/t17-/m0/s1
Synonyms:	(E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate, bound form
Definition date:	2012-01-23
Last modified:	2024-09-27
Identifier:	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate

S2D

S2D
Name:	N-BENZOYL-D-ALANINE
Formula:	C10 H11 N O3
SMILES:	O=C(NC(C(=O)O)C)c1ccccc1
InChi:	InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
Definition date:	2006-12-23
Last modified:	2024-09-27
Identifier:	N-benzoyl-D-alanine

S56

S56
Name:	(2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide
Formula:	C28 H30 N6 O3
SMILES:	O=C(C(C#N)Cc3c(c2ccc(Oc1ccccc1)cc2)c4c(n3CCOC)ncnc4N)NC(C)C
InChi:	InChI=1S/C28H30N6O3/c1-18(2)33-28(35)20(16-29)15-23-24(25-26(30)31-17-32-27(25)34(23)13-14-36-3)19-9-11-22(12-10-19)37-21-7-5-4-6-8-21/h4-12,17-18,20H,13-15H2,1-3H3,(H,33,35)(H2,30,31,32)/t20-/m0/s1
Synonyms:	Rao-IV-156, bound form
Definition date:	2016-09-28
Last modified:	2024-09-27
Release date:	2017-09-27
Identifier:	(2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide

0QZ

0QZ
Name:	D-Isoserine
Formula:	C3 H7 N O3
SMILES:	O=C(O)C(O)CN
InChi:	InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
Synonyms:	(2R)-3-amino-2-hydroxypropanoic acid
Definition date:	2012-08-23
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(2R)-3-amino-2-hydroxypropanoic acid

SA2

SA2
Name:	(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE
Formula:	C13 H19 N O9 S
SMILES:	O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O
InChi:	InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1
Synonyms:	4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID
Definition date:	2006-06-09
Last modified:	2024-09-27
Identifier:	(3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine

SBD

SBD
Name:	D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Formula:	C17 H22 B N2 O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12
InChi:	InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

72F

72F
Name:	N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
Formula:	C31 H27 F3 N6 O3
SMILES:	c4(C#Cc1c(ccc(c1)NC(=O)c2cccc(c2)C(F)(F)F)C)c3cncnc3n(CCOC)c4CC(C#N)C(=O)NC
InChi:	InChI=1S/C31H27F3N6O3/c1-19-7-9-24(39-30(42)21-5-4-6-23(13-21)31(32,33)34)14-20(19)8-10-25-26-17-37-18-38-28(26)40(11-12-43-3)27(25)15-22(16-35)29(41)36-2/h4-7,9,13-14,17-18,22H,11-12,15H2,1-3H3,(H,36,41)(H,39,42)/t22-/m0/s1
Synonyms:	N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor, bound form
Definition date:	2016-08-15
Last modified:	2024-09-27
Release date:	2017-08-16
Identifier:	N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

MUB

MUB
Name:	N-acetyl-alpha-muramic acid
Formula:	C11 H19 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1
Synonyms:	N-acetyl-muramic acid
Definition date:	2004-03-16
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

MV9

MV9
Name:	(2~{R})-3-methyl-2-(methylamino)butanoic acid
Formula:	C6 H13 N O2
SMILES:	CN[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m1/s1
Synonyms:	N-Methyl-D-valine
Definition date:	2015-12-01
Last modified:	2024-09-27
Release date:	2016-03-16
Identifier:	(2~{R})-3-methyl-2-(methylamino)butanoic acid

MXC

MXC
Name:	(2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
Formula:	C16 H18 N4 O8 S
SMILES:	O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1cc(ccn12)C(=O)N)C=O)N
InChi:	InChI=1S/C16H18N4O8S/c1-16(29(26)27,7-28-15(18)25)11(14(23)24)19-13-9(6-21)5-10-4-8(12(17)22)2-3-20(10)13/h2-6,11,19H,7H2,1H3,(H2,17,22)(H2,18,25)(H,23,24)(H,26,27)/t11-,16-/m0/s1
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	(3R)-N-(7-carbamoyl-2-formylindolizin-3-yl)-4-(carbamoyloxy)-3-sulfino-D-valine

MXF

MXF
Name:	(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
Formula:	C17 H22 N4 O7 S
SMILES:	O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)NCCN
InChi:	InChI=1S/C17H22N4O7S/c1-17(29(26)27,10-28-16(25)19-6-5-18)13(15(23)24)20-14-11(9-22)8-12-4-2-3-7-21(12)14/h2-4,7-9,13,20H,5-6,10,18H2,1H3,(H,19,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1
Synonyms:	penam sulfone SA3-53, open form
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	(3R)-4-{[(2-aminoethyl)carbamoyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine

N1L

N1L
Name:	2-amino-2-deoxy-beta-D-glucopyranuronic acid
Formula:	C6 H11 N O6
SMILES:	O=C(O)C1OC(O)C(N)C(O)C1O
InChi:	InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
Synonyms:	2-amino-2-deoxy-beta-D-glucuronic acid
Definition date:	2008-03-11
Last modified:	2024-09-27
Identifier:	2-amino-2-deoxy-beta-D-glucopyranuronic acid

2RA

2RA
Name:	3-amino-D-alanine
Formula:	C3 H8 N2 O2
SMILES:	O=C(O)C(N)CN
InChi:	InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1
Synonyms:	diaminopropanoic acid
Definition date:	2010-09-27
Last modified:	2024-09-27
Identifier:	3-amino-D-alanine

2TL

2TL
Name:	D-allothreonine
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(N)C(O)C
InChi:	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
Definition date:	2008-06-03
Last modified:	2024-09-27
Identifier:	D-allothreonine

RSH

RSH
Name:	3-DEOXY-D-LYXO-HEXONIC ACID
Formula:	C6 H12 O6
SMILES:	O=C(O)C(O)CC(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1
Synonyms:	D-2-KETO-3-DEOXYGALACTONATE
Definition date:	2004-07-19
Last modified:	2024-09-27
Identifier:	3-deoxy-D-lyxo-hexonic acid

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