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2RX
2RX
Name:O-thiophosphono-L-serine
Formula:C3 H8 N O5 P S
SMILES:O=P(OCC(C(=O)O)N)(O)S
InChi:InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-9-10(7,8)11/h2H,1,4H2,(H,5,6)(H2,7,8,11)/t2-/m0/s1
Definition date:2014-01-14
Last modified:2023-11-03
Release date:2014-05-28
Identifier:O-thiophosphono-L-serine
OPR
OPR
Name:(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
Formula:C9 H18 N4 O3
SMILES:O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
OPU
OPU
Name:(4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C17 H15 Cl N4 O2
SMILES:Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C17H15ClN4O2/c1-10-4-6-22-9-19-21-16(22)15(10)20-17(23)12-5-7-24-14-3-2-11(18)8-13(12)14/h2-4,6,8-9,12H,5,7H2,1H3,(H,20,23)/t12-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
2SO
2SO
Name:3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine
Formula:C24 H38 N3 O4
SMILES:O=C(O)C(N)Cc1c[n+](cn1CCCCCCCCc2ccccc2)CCC(O)CO
InChi:InChI=1S/C24H37N3O4/c25-23(24(30)31)16-21-17-26(15-13-22(29)18-28)19-27(21)14-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,17,19,22-23,28-29H,1-4,6,9-10,13-16,18,25H2/p+1/t22-,23+/m1/s1
Definition date:2014-01-23
Last modified:2023-11-03
Release date:2014-01-29
Identifier:3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine
OQF
OQF
Name:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide
Formula:C20 H20 N6 O S
SMILES:O=C(Cn1nnc2ccccc21)N(Cc1cscn1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C20H20N6OS/c1-24(2)16-7-9-17(10-8-16)25(11-15-13-28-14-21-15)20(27)12-26-19-6-4-3-5-18(19)22-23-26/h3-10,13-14H,11-12H2,1-2H3
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide
OQL
OQL
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C19 H16 Cl N3 O
SMILES:Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
OQX
OQX
Name:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide
Formula:C22 H19 Cl N4 O2
SMILES:COc1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21
InChi:InChI=1S/C22H19ClN4O2/c1-29-19-11-9-18(10-12-19)26(14-16-5-4-6-17(23)13-16)22(28)15-27-21-8-3-2-7-20(21)24-25-27/h2-13H,14-15H2,1H3
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide
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:2023-11-03
Identifier:D-allothreonine
ORD
ORD
Name:D-ORNITHINE
Formula:C5 H12 N2 O2
SMILES:O=C(O)C(N)CCCN
InChi:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
Definition date:2010-09-08
Last modified:2023-11-03
Identifier:D-ornithine
2TY
2TY
Name:2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE
Formula:C17 H18 N2 O4
SMILES:O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O
InChi:InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1
Definition date:2005-07-07
Last modified:2023-11-03
Identifier:2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
ORN
ORN
Name:L-ornithine
Formula:C5 H12 N2 O2
SMILES:O=C(O)C(N)CCCN
InChi:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:L-ornithine
ORQ
ORQ
Name:N~5~-ACETYL-L-ORNITHINE
Formula:C7 H14 N2 O3
SMILES:O=C(NCCCC(N)C(=O)O)C
InChi:InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Definition date:2006-02-27
Last modified:2023-11-03
Identifier:N~5~-acetyl-L-ornithine
ORR
ORR
Name:1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one
Formula:C16 H16 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)N1CCCc2c1cncc2N
InChi:InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-6-2-5-13-14(18)9-19-10-15(13)20/h1,3-4,7,9-10H,2,5-6,8,18H2
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one
2UE
2UE
Name:1-[4-(2-oxoethyl)benzyl]guanidine
Formula:C10 H13 N3 O
SMILES:C(c1ccc(cc1)CNC(N)=[N@H])C=O
InChi:InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13)
Definition date:2015-06-22
Last modified:2023-11-03
Release date:2015-07-01
Identifier:1-[4-(2-oxoethyl)benzyl]guanidine
OSE
OSE
Name:O-SULFO-L-SERINE
Formula:C3 H7 N O6 S
SMILES:O=S(=O)(O)OCC(C(=O)O)N
InChi:InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
Definition date:2005-02-24
Last modified:2023-11-03
Identifier:O-sulfo-L-serine
OSI
OSI
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H17 Cl N2 O2
SMILES:Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OSL
OSL
Name:(2R)-2-hydroxy-3-(sulfooxy)propanoic acid
Formula:C3 H6 O7 S
SMILES:O=S(=O)(OCC(O)C(=O)O)O
InChi:InChI=1S/C3H6O7S/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
Definition date:2010-11-10
Last modified:2023-11-03
Identifier:(2R)-2-hydroxy-3-(sulfooxy)propanoic acid
OT6
OT6
Name:2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide
Formula:C19 H21 Cl N4 O
SMILES:O=C(Nc1cnccc1C)Cc1cc(NCC(C)(C)C#N)cc(Cl)c1
InChi:InChI=1S/C19H21ClN4O/c1-13-4-5-22-10-17(13)24-18(25)8-14-6-15(20)9-16(7-14)23-12-19(2,3)11-21/h4-7,9-10,23H,8,12H2,1-3H3,(H,24,25)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide
OTH
OTH
Name:N,O-dimethyl-L-threonine
Formula:C6 H13 N O3
SMILES:O=C(O)C(NC)C(OC)C
InChi:InChI=1S/C6H13NO3/c1-4(10-3)5(7-2)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t4-,5+/m1/s1
Definition date:2010-05-20
Last modified:2023-11-03
Identifier:N,O-dimethyl-L-threonine
OTV
OTV
Name:2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C18 H17 Cl F3 N3 O
SMILES:O=C(Nc1cnccc1C)Cc1cc(NC2CC2C(F)(F)F)cc(Cl)c1
InChi:InChI=1S/C18H17ClF3N3O/c1-10-2-3-23-9-16(10)25-17(26)6-11-4-12(19)7-13(5-11)24-15-8-14(15)18(20,21)22/h2-5,7,9,14-15,24H,6,8H2,1H3,(H,25,26)/t14-,15+/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
OTY
OTY
Name:2-hydroxy-L-tyrosine
Formula:C9 H11 N O4
SMILES:O=C(O)C(N)Cc1ccc(O)cc1O
InChi:InChI=1S/C9H11NO4/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7,11-12H,3,10H2,(H,13,14)/t7-/m0/s1
Definition date:2006-11-21
Last modified:2023-11-03
Identifier:2-hydroxy-L-tyrosine
OTZ
OTZ
Name:2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid
Formula:C8 H7 N3 O3 S
SMILES:NCc1occ(n1)c2scc(n2)C(O)=O
InChi:InChI=1S/C8H7N3O3S/c9-1-6-10-4(2-14-6)7-11-5(3-15-7)8(12)13/h2-3H,1,9H2,(H,12,13)
Definition date:2018-06-04
Last modified:2023-11-03
Release date:2019-01-30
Identifier:2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid
OUD
OUD
Name:(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid
Formula:C5 H10 N2 O4
SMILES:N[CH](CNC(O)=O)CC(O)=O
InChi:InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/m0/s1
Definition date:2017-02-10
Last modified:2023-11-03
Release date:2017-04-12
Identifier:(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid
OUE
OUE
Name:(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid
Formula:C6 H12 N2 O4
SMILES:N[CH](CCC(O)=O)CNC(O)=O
InChi:InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1
Definition date:2017-02-10
Last modified:2023-11-03
Release date:2017-04-12
Identifier:(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid
OUF
OUF
Name:N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea
Formula:C22 H27 N3 O4
SMILES:O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1
InChi:InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea

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数据于2024-07-10公开中

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