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4KY

4KY
Name:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
Formula:	C15 H25 N O4
SMILES:	C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O
InChi:	InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1
Definition date:	2015-04-01
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline

4L0

4L0
Name:	(4R)-1-acetyl-4-(hexyloxy)-L-proline
Formula:	C13 H23 N O4
SMILES:	N1(CC(CC1C(=O)O)OCCCCCC)C(C)=O
InChi:	InChI=1S/C13H23NO4/c1-3-4-5-6-7-18-11-8-12(13(16)17)14(9-11)10(2)15/h11-12H,3-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
Synonyms:	(4R)-1-acetyl-4-(hex-5-en-1-yloxy)-L-proline (bound form)
Definition date:	2015-04-02
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(hexyloxy)-L-proline

4LJ

4LJ
Name:	1.7.6 3-bromanylpropan-1-amine
Formula:	C3 H8 Br N
SMILES:	NCCCBr
InChi:	InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
Definition date:	2015-04-10
Last modified:	2023-11-03
Release date:	2015-09-16
Identifier:	3-bromanylpropan-1-amine

4LT

4LT
Name:	(2R)-2-fluoropropanoic acid
Formula:	C3 H5 F O2
SMILES:	C(C(C)F)(O)=O
InChi:	InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
Definition date:	2015-12-29
Last modified:	2023-11-03
Release date:	2016-11-02
Identifier:	(2R)-2-fluoropropanoic acid

4LZ

4LZ
Name:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
Formula:	C11 H15 N4 O3
SMILES:	C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O
InChi:	InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
Definition date:	2015-04-14
Last modified:	2023-11-03
Release date:	2015-05-06
Identifier:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine

4MM

4MM
Name:	N,N,N-trimethylmethionine
Formula:	C8 H18 N O2 S
SMILES:	CSCCC([N+](C)(C)C)C(=O)O
InChi:	InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1
Synonyms:	(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
Definition date:	2011-06-04
Last modified:	2023-11-03
Identifier:	(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium

4NT

4NT
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C15 H16 Cl N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(Cl)c(cc2)O
InChi:	InChI=1S/C15H16ClN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

4NU

4NU
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 Cl2 N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=CC2C=C(Cl)C(C(=C2)Cl)=O
InChi:	InChI=1S/C15H15Cl2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6-7,12,21H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

4OG

4OG
Name:	3-(1-benzothiophen-3-yl)-L-alanine
Formula:	C11 H11 N O2 S
SMILES:	c12scc(c1cccc2)CC(N)C(O)=O
InChi:	InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2015-04-28
Last modified:	2023-11-03
Release date:	2016-03-02
Identifier:	3-(1-benzothiophen-3-yl)-L-alanine

4OU

4OU
Name:	4-(acryloylamino)-L-phenylalanine
Formula:	C12 H14 N2 O3
SMILES:	c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
InChi:	InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1
Definition date:	2015-04-29
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	4-(acryloylamino)-L-phenylalanine

H3I

H3I
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H24 N12 O6
SMILES:	N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O
InChi:	InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid

H5M

H5M
Name:	TRANS-3-HYDROXY-5-METHYLPROLINE
Formula:	C6 H11 N O3
SMILES:	O=C(O)C1NC(C)CC1O
InChi:	InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(3S,5S)-3-hydroxy-5-methyl-L-proline

H7V

H7V
Name:	3-cyclohexyl-N-methyl-L-alanine
Formula:	C10 H19 N O2
SMILES:	N(C(C(O)=O)CC1CCCCC1)C
InChi:	InChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
Definition date:	2018-06-13
Last modified:	2023-11-03
Release date:	2018-10-17
Identifier:	3-cyclohexyl-N-methyl-L-alanine

H9D

H9D
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol
Formula:	C22 H29 N11 O7
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCNc4ncnc5n(cnc45)[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C22H29N11O7/c23-17-11-19(28-5-26-17)32(7-30-11)21-15(37)13(35)9(39-21)3-24-1-2-25-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)10(4-34)40-22/h5-10,13-16,21-22,24,34-38H,1-4H2,(H2,23,26,28)(H,25,27,29)
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol

HAO

HAO
Name:	{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
Formula:	C10 H11 N3 O5
SMILES:	O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1
InChi:	InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
Definition date:	2010-07-01
Last modified:	2023-11-03
Identifier:	{[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid

HAQ

HAQ
Name:	5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID
Formula:	C13 H14 N2 O3
SMILES:	O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O
InChi:	InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1
Definition date:	1999-10-14
Last modified:	2023-11-03
Identifier:	(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

HAR

HAR
Name:	N-OMEGA-HYDROXY-L-ARGININE
Formula:	C6 H14 N4 O3
SMILES:	O=C(O)C(N)CCCNC(=[N@H])NO
InChi:	InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	N~5~-(N-hydroxycarbamimidoyl)-L-ornithine

HCI

HCI
Name:	HYDROCINNAMIC ACID
Formula:	C9 H10 O2
SMILES:	O=C(O)CCc1ccccc1
InChi:	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Synonyms:	3PP
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-phenylpropanoic acid

HCL

HCL
Name:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Formula:	C8 H8 Cl N O4
SMILES:	N[CH](C(O)=O)c1cc(O)cc(O)c1Cl
InChi:	InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1
Definition date:	2012-03-05
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

HD0

HD0
Name:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
Formula:	C10 H12 N4 O4
SMILES:	O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2
InChi:	InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1
Definition date:	2010-11-01
Last modified:	2023-11-03
Release date:	2022-06-29
Identifier:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid

HF2

HF2
Name:	(2R)-2-hydroxy-3-phenylpropanoic acid
Formula:	C9 H10 O3
SMILES:	O=C(O)C(O)Cc1ccccc1
InChi:	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
Definition date:	2010-07-12
Last modified:	2023-11-03
Identifier:	(2R)-2-hydroxy-3-phenylpropanoic acid

HFA

HFA
Name:	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID
Formula:	C9 H10 O3
SMILES:	O=C(O)C(O)Cc1ccccc1
InChi:	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-2-hydroxy-3-phenylpropanoic acid

HG7

HG7
Name:	(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
Formula:	C13 H21 N3 O2
SMILES:	CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1
InChi:	InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1
Definition date:	2012-03-05
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide

1HB

1HB
Name:	(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide
Formula:	C7 H16 N2 O2
SMILES:	O=C(N(C)C)CCC(N)CO
InChi:	InChI=1S/C7H16N2O2/c1-9(2)7(11)4-3-6(8)5-10/h6,10H,3-5,8H2,1-2H3/t6-/m0/s1
Synonyms:	N,N-dimethyl-L-glutamine aldehyde, bound form
Definition date:	2013-02-04
Last modified:	2023-11-03
Release date:	2013-02-15
Identifier:	(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide

1HD

1HD
Name:	N-[(2S)-2-amino-3-hydroxypropyl]acetamide
Formula:	C5 H12 N2 O2
SMILES:	O=C(NCC(N)CO)C
InChi:	InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2013-02-05
Last modified:	2023-11-03
Release date:	2013-02-15
Identifier:	N-[(2S)-2-amino-3-hydroxypropyl]acetamide

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