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PRJ

PRJ
Name:	(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid
Formula:	C9 H15 N O3
SMILES:	O=C(O)C1NC2CC(O)CCC2C1
InChi:	InChI=1S/C9H15NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h5-8,10-11H,1-4H2,(H,12,13)/t5-,6+,7-,8-/m0/s1
Definition date:	2010-11-05
Last modified:	2023-11-03
Identifier:	(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid

O3I

O3I
Name:	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:	C21 H17 Cl F2 N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F
InChi:	InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide

VHF

VHF
Name:	(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid
Formula:	C5 H10 N O7 P
SMILES:	N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
Definition date:	2023-03-06
Last modified:	2023-11-03
Release date:	2023-03-15
Identifier:	(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid

PRK

PRK
Name:	N~6~-propanoyl-L-lysine
Formula:	C9 H18 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CC
InChi:	InChI=1S/C9H18N2O3/c1-2-8(12)11-6-4-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
Synonyms:	N(6)-Propionyllysine
Definition date:	2010-05-12
Last modified:	2023-11-03
Identifier:	N~6~-propanoyl-L-lysine

V1V

V1V
Name:	(2S,3S)-3-amino-2-hydroxyhexanoic acid
Formula:	C6 H13 N O3
SMILES:	CCCC(N)C(O)C(O)=O
InChi:	InChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1
Definition date:	2020-06-16
Last modified:	2023-11-03
Release date:	2020-06-24
Identifier:	(2S,3S)-3-amino-2-hydroxyhexanoic acid

WVL

WVL
Name:	(2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid
Formula:	C8 H15 N O2
SMILES:	O=C(O)C(N)C(C=C(/C)C)C
InChi:	InChI=1S/C8H15NO2/c1-5(2)4-6(3)7(9)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
Definition date:	2013-06-18
Last modified:	2023-11-03
Release date:	2013-09-18
Identifier:	(2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid

ZDJ

ZDJ
Name:	3-methyl-L-tyrosine
Formula:	C10 H13 N O3
SMILES:	Cc1cc(CC(N)C(=O)O)ccc1O
InChi:	InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2021-04-15
Last modified:	2023-11-03
Release date:	2021-12-29
Identifier:	3-methyl-L-tyrosine

PRO

PRO
Name:	PROLINE
Formula:	C5 H9 N O2
SMILES:	O=C(O)C1NCCC1
InChi:	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-proline

VWU

VWU
Name:	2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
Formula:	C17 H13 Cl3 N2 O2
SMILES:	Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl
InChi:	InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23)
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide

PRQ

PRQ
Name:	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid
Formula:	C9 H10 N2 O4
SMILES:	[O-][N+](=O)c1ccccc1C(N)CC(=O)O
InChi:	InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2007-10-17
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid

PRR

PRR
Name:	3-(METHYL-PYRIDINIUM)ALANINE
Formula:	C9 H13 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc[n+](c1)C
InChi:	InChI=1S/C9H12N2O2/c1-11-4-2-3-7(6-11)5-8(10)9(12)13/h2-4,6,8H,5,10H2,1H3/p+1/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(1-methylpyridinium-3-yl)-L-alanine

PRS

PRS
Name:	THIOPROLINE
Formula:	C4 H7 N O2 S
SMILES:	O=C(O)C1NCSC1
InChi:	InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(4R)-1,3-thiazolidine-4-carboxylic acid

0BN

0BN
Name:	4-carbamimidoyl-L-phenylalanine
Formula:	C10 H13 N3 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-09-25
Last modified:	2023-11-03
Identifier:	4-carbamimidoyl-L-phenylalanine

KG9

KG9
Name:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C24 H21 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

PRV

PRV
Name:	(2R)-amino(2-nitrophenyl)ethanoic acid
Formula:	C8 H8 N2 O4
SMILES:	[O-][N+](=O)c1ccccc1C(N)C(=O)O
InChi:	InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1
Synonyms:	2-(NITRO)PHENYLGLYCINE
Definition date:	2010-02-02
Last modified:	2023-11-03
Identifier:	(2R)-amino(2-nitrophenyl)ethanoic acid

O3U

O3U
Name:	N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide
Formula:	C15 H18 N4 O S
SMILES:	CC(=O)NC1=NC(SC)=C(C#N)C2(CCCCC2)C1C#N
InChi:	InChI=1S/C15H18N4OS/c1-10(20)18-13-11(8-16)15(6-4-3-5-7-15)12(9-17)14(19-13)21-2/h11H,3-7H2,1-2H3,(H,18,19,20)/t11-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide

PRW

PRW
Name:	(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID
Formula:	C4 H9 N O4
SMILES:	O=C(O)C(O)C(O)CN
InChi:	InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3-/m1/s1
Definition date:	2010-02-02
Last modified:	2023-11-03
Identifier:	(2R,3R)-4-amino-2,3-dihydroxybutanoic acid

R1I

R1I
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C22 H22 Cl N3 O2
SMILES:	Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CCOC
InChi:	InChI=1S/C22H22ClN3O2/c1-28-9-8-26-13-16-6-7-17(23)10-19(16)20(14-26)22(27)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,25,27)/t20-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Q6U

Q6U
Name:	1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one
Formula:	C9 H14 N2 O
SMILES:	C#CCN1CCN(CC1)C(C)=O
InChi:	InChI=1S/C9H14N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h1H,4-8H2,2H3
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one

OLT

OLT
Name:	O-METHYL-L-THREONINE
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(N)C(OC)C
InChi:	InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1
Definition date:	2005-09-02
Last modified:	2023-11-03
Identifier:	O-methyl-L-threonine

TFW

TFW
Name:	5,6,7-trifluoro-tryptophan
Formula:	C11 H9 F3 N2 O2
SMILES:	N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2023-11-03
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

OLX

OLX
Name:	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
Formula:	C12 H13 N O4
SMILES:	O=C(O)CN1c2ccc(cc2C(O)C1=O)CC
InChi:	InChI=1S/C12H13NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)/t11-/m1/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid

PDF

PDF
Name:	4,4-difluoro-L-proline
Formula:	C5 H7 F2 N O2
SMILES:	O=C(O)C1NCC(F)(F)C1
InChi:	InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1
Definition date:	2008-10-07
Last modified:	2023-11-03
Release date:	2015-06-17
Identifier:	4,4-difluoro-L-proline

XCN

XCN
Name:	S-cyano-L-cysteine
Formula:	C4 H6 N2 O2 S
SMILES:	O=C(O)C(N)CSC#N
InChi:	InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
Definition date:	2010-09-21
Last modified:	2023-11-03
Identifier:	S-cyano-L-cysteine

Q75

Q75
Name:	3-(1,3-Thiazol-5-yl)-L-alanine
Formula:	C6 H8 N2 O2 S
SMILES:	N[CH](Cc1scnc1)C(O)=O
InChi:	InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
Synonyms:	(2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid
Definition date:	2020-05-26
Last modified:	2023-11-03
Release date:	2021-04-28
Identifier:	(2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid

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