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7WJ

7WJ
Name:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
Formula:	C20 H19 N5 O3
SMILES:	C(=O)(O)C(CCNC(c2cc(c1ncccc1)nc(c2)c3ccccn3)=O)N
InChi:	InChI=1S/C20H19N5O3/c21-14(20(27)28)7-10-24-19(26)13-11-17(15-5-1-3-8-22-15)25-18(12-13)16-6-2-4-9-23-16/h1-6,8-9,11-12,14H,7,10,21H2,(H,24,26)(H,27,28)/t14-/m0/s1
Definition date:	2016-12-08
Last modified:	2023-11-03
Release date:	2017-02-22
Identifier:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid

7XC

7XC
Name:	(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
Formula:	C10 H14 N4 O2
SMILES:	N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O
InChi:	InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1
Definition date:	2017-02-02
Last modified:	2023-11-03
Release date:	2018-07-11
Identifier:	(2~{R})-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid

6VA

6VA
Name:	(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
Formula:	C12 H19 N O2
SMILES:	CC(C)(O)[CH](O)[CH](N)Cc1ccccc1
InChi:	InChI=1S/C12H19NO2/c1-12(2,15)11(14)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,14-15H,8,13H2,1-2H3/t10-,11+/m0/s1
Definition date:	2016-07-04
Last modified:	2023-11-03
Release date:	2016-08-17
Identifier:	(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol

6VF

6VF
Name:	(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
Formula:	C10 H15 N O3
SMILES:	N[CH](Cc1ccc(O)cc1)[CH](O)CO
InChi:	InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1
Definition date:	2016-07-06
Last modified:	2023-11-03
Release date:	2016-08-17
Identifier:	(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol

707

707
Name:	N-(3-bromo-4-methoxybenzoyl)-beta-alanine
Formula:	C11 H12 Br N O4
SMILES:	O=C(O)CCNC(c1cc(c(OC)cc1)Br)=O
InChi:	InChI=1S/C11H12BrNO4/c1-17-9-3-2-7(6-8(9)12)11(16)13-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,15)
Definition date:	2015-09-11
Last modified:	2023-11-03
Release date:	2016-02-24
Identifier:	N-(3-bromo-4-methoxybenzoyl)-beta-alanine

73N

73N
Name:	(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
Formula:	C7 H14 N4 O4
SMILES:	NC(=N)NCCC[CH](NC(O)=O)C(O)=O
InChi:	InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1
Definition date:	2016-08-19
Last modified:	2023-11-03
Release date:	2016-09-21
Identifier:	(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid

73O

73O
Name:	(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid
Formula:	C10 H13 N O3
SMILES:	N[CH](CCc1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1
Definition date:	2016-08-19
Last modified:	2023-11-03
Release date:	2016-09-21
Identifier:	(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid

74P

74P
Name:	(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine
Formula:	C11 H18 N2 O5
SMILES:	C(C/C(=NCCCCC(N)C(O)=O)C(=O)O)(C)=O
InChi:	InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1
Definition date:	2016-08-24
Last modified:	2023-11-03
Release date:	2016-10-05
Identifier:	(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine

BZK

BZK
Name:	(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
Formula:	C11 H21 N O4
SMILES:	CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O
InChi:	InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
Definition date:	2017-11-01
Last modified:	2023-11-03
Release date:	2018-07-18
Identifier:	(2~{S},4~{S},6~{S})-2-azanyl-4-methyl-6-oxidanyl-8-oxidanylidene-decanoic acid

C0F

C0F
Name:	(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H14 N4 O3 S
SMILES:	N[CH](Cc1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:	InChI=1S/C12H14N4O3S/c13-7(10(14)17)3-6-1-2-15-8(4-6)11-16-9(5-20-11)12(18)19/h1-2,4,7,9H,3,5,13H2,(H2,14,17)(H,18,19)/t7-,9-/m0/s1
Definition date:	2019-04-03
Last modified:	2023-11-03
Release date:	2019-06-26
Identifier:	(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C1J

C1J
Name:	N~5~-(N-octylcarbamimidoyl)-L-ornithine
Formula:	C14 H30 N4 O2
SMILES:	NC(C(O)=O)CCCN/C(NCCCCCCCC)=N
InChi:	InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1
Definition date:	2017-09-08
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-(N-octylcarbamimidoyl)-L-ornithine

C1X

C1X
Name:	(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O6 S
SMILES:	O=C(O)C(N)CCCC/N=C1/CSCC(CCC(=O)O)C1CC(=O)O
InChi:	InChI=1S/C16H26N2O6S/c17-12(16(23)24)3-1-2-6-18-13-9-25-8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-DIHYDRO-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

C4G

C4G
Name:	N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine
Formula:	C9 H21 N5 O2
SMILES:	NC(C(O)=O)CCCNC(=N)NCCCN
InChi:	InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1
Definition date:	2017-09-13
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine

C4R

C4R
Name:	(R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
Formula:	C10 H14 N O2 Rh S
SMILES:	N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O
InChi:	InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6
Synonyms:	(bicyclo [2.2.1] hepta-2-ene)-cystein rhodium
Definition date:	2008-11-11
Last modified:	2023-11-03

C67

C67
Name:	N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine
Formula:	C9 H18 N4 O4
SMILES:	NC(C(=O)O)CCCNC(=N)NCCC(O)=O
InChi:	InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1
Definition date:	2017-09-13
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine

C6D

C6D
Name:	N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine
Formula:	C9 H20 N4 O3
SMILES:	NC(C(=O)O)CCCNC(=N)NCCCO
InChi:	InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1
Definition date:	2017-09-13
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine

C99

C99
Name:	{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-1-YL}ACETIC ACID
Formula:	C8 H13 N3 O6
SMILES:	O=C(O)CN1C(=O)C(=O)NC1(O)C(N)C(O)C
InChi:	InChI=1S/C8H13N3O6/c1-3(12)5(9)8(17)10-6(15)7(16)11(8)2-4(13)14/h3,5,12,17H,2,9H2,1H3,(H,10,15)(H,13,14)/t3-,5+,8-/m1/s1
Synonyms:	CHROMOPHORE (THR-PHE-GLY)
Definition date:	2007-03-23
Last modified:	2023-11-03
Identifier:	{(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid

3A5

3A5
Name:	(2Z,4S)-3-AZA-5-CARBOXYL-2-METHYL-4(METHYLCARBOXY)PENT-2-ENOYL
Formula:	C8 H11 N O6
SMILES:	O=C(OC)C(/N=C(/C(=O)O)C)CC(=O)O
InChi:	InChI=1S/C8H11NO6/c1-4(7(12)13)9-5(3-6(10)11)8(14)15-2/h5H,3H2,1-2H3,(H,10,11)(H,12,13)/b9-4+/t5-/m0/s1
Definition date:	2012-03-28
Last modified:	2023-11-03
Release date:	2012-10-26
Identifier:	(3S)-3-[(E)-(1-carboxyethylidene)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name)

3CF

3CF
Name:	3-cyano-L-phenylalanine
Formula:	C10 H10 N2 O2
SMILES:	O=C(O)C(N)Cc1cccc(C#N)c1
InChi:	InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2010-09-07
Last modified:	2023-11-03
Identifier:	3-cyano-L-phenylalanine

3CT

3CT
Name:	3-chloro-L-tyrosine
Formula:	C9 H10 Cl N O3
SMILES:	Clc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	2013-12-18
Last modified:	2023-11-03
Release date:	2015-08-19
Identifier:	3-chloro-L-tyrosine

3ZH

3ZH
Name:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid
Formula:	C31 H51 N3 O4
SMILES:	O=C(O)C(N)CC1=CN(CCCCCCCCCCC(=O)O)CN1CCCCCCCCc2ccccc2
InChi:	InChI=1S/C31H51N3O4/c32-29(31(37)38)24-28-25-33(22-16-9-5-2-1-3-8-15-21-30(35)36)26-34(28)23-17-10-6-4-7-12-18-27-19-13-11-14-20-27/h11,13-14,19-20,25,29H,1-10,12,15-18,21-24,26,32H2,(H,35,36)(H,37,38)/t29-/m0/s1
Definition date:	2014-12-12
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid

40A

40A
Name:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C12 H17 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

40C

40C
Name:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C11 H17 N5 O4
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40G

40G
Name:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C12 H17 N7 O4
SMILES:	O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40T

40T
Name:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H18 N4 O5
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C
InChi:	InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

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