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OUH
OUH
Name:[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid
Formula:C7 H12 N4 O2
SMILES:N[CH](CNC(O)=O)Cc1[nH]cnc1
InChi:InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1
Definition date:2017-02-10
Last modified:2023-11-03
Release date:2017-04-12
Identifier:[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid
OUI
OUI
Name:[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
Formula:C7 H16 N2 O2
SMILES:CC[CH](C)[CH](N)CNC(O)=O
InChi:InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:2017-02-10
Last modified:2023-11-03
Release date:2017-04-12
Identifier:[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
OUK
OUK
Name:[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
Formula:C7 H18 N3 O2
SMILES:N[CH](CCCC[NH3+])CNC(O)=O
InChi:InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1
Definition date:2017-02-10
Last modified:2023-11-03
Release date:2017-04-12
Identifier:[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
7BB
7BB
Name:trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
Formula:C15 H24 N2 O6 S
SMILES:O=C(OC1CCC(C(=O)O)CC1)N(C(=CS)N)CCCCC(=O)O
InChi:InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11-
Definition date:2012-01-04
Last modified:2023-11-03
Identifier:trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
OUR
OUR
Name:[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
Formula:C7 H18 N5 O2
SMILES:N[CH](CCCNC(N)=[NH2+])CNC(O)=O
InChi:InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1
Definition date:2017-02-10
Last modified:2023-11-03
Release date:2017-04-12
Identifier:[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
OV4
OV4
Name:2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
Formula:C23 H23 N5 O
SMILES:CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChi:InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
OV7
OV7
Name:(2R)-amino[(carboxymethyl)sulfanyl]acetic acid
Formula:C4 H7 N O4 S
SMILES:NC(C(O)=O)SCC(O)=O
InChi:InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
Definition date:2019-07-08
Last modified:2023-11-03
Release date:2019-08-07
Identifier:(2R)-amino[(carboxymethyl)sulfanyl]acetic acid
OV9
OV9
Name:2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
Formula:C7 H5 N5 O3
SMILES:NC1=Nc2nc(cnc2C(=O)N1)C(O)=O
InChi:InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)
Definition date:2023-02-14
Last modified:2023-11-03
Release date:2023-09-20
Identifier:2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
OVF
OVF
Name:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
Formula:C23 H22 Cl N5 O
SMILES:CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21
InChi:InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
7C9
7C9
Name:O-methyl-L-serine
Formula:C4 H9 N O3
SMILES:O(CC(N)C(=O)O)C
InChi:InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:2016-10-03
Last modified:2023-11-03
Release date:2017-01-11
Identifier:O-methyl-L-serine
7CC
7CC
Name:N,N-diethyl-L-asparagine
Formula:C8 H16 N2 O3
SMILES:O=C(O)C(CC(N(CC)CC)=O)N
InChi:InChI=1S/C8H16N2O3/c1-3-10(4-2)7(11)5-6(9)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)/t6-/m0/s1
Definition date:2016-10-03
Last modified:2023-11-03
Release date:2017-01-11
Identifier:N,N-diethyl-L-asparagine
OVX
OVX
Name:1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
Formula:C20 H16 Cl N3 O2
SMILES:O=C(c1cncc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H16ClN3O2/c21-15-5-3-6-16(10-15)24-9-8-23(13-19(24)25)20(26)18-12-22-11-14-4-1-2-7-17(14)18/h1-7,10-12H,8-9,13H2
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
OWC
OWC
Name:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
Formula:C20 H17 Cl N2 O
SMILES:Clc1cccc(c1)C1CCCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C20H17ClN2O/c21-16-7-3-6-14(11-16)18-9-4-10-23(20(18)24)19-13-22-12-15-5-1-2-8-17(15)19/h1-3,5-8,11-13,18H,4,9-10H2/t18-/m0/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
OWF
OWF
Name:(3S)-3-hydroxy-D-asparagine
Formula:C4 H8 N2 O4
SMILES:NC(=O)C(O)C(N)C(O)=O
InChi:InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m1/s1
Definition date:2022-05-18
Last modified:2023-11-03
Release date:2023-01-11
Identifier:(3S)-3-hydroxy-D-asparagine
OXJ
OXJ
Name:1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
Formula:C10 H9 F6 N
SMILES:CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3
Definition date:2019-07-15
Last modified:2023-11-03
Release date:2019-12-11
Identifier:1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
OYF
OYF
Name:(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C18 H14 Cl N3 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cnccc21
InChi:InChI=1S/C18H14ClN3O2/c19-12-1-2-17-15(7-12)14(4-6-24-17)18(23)22-16-10-21-9-11-8-20-5-3-13(11)16/h1-3,5,7-10,14H,4,6H2,(H,22,23)/t14-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OYL
OYL
Name:1-ethyl-L-histidine
Formula:C8 H13 N3 O2
SMILES:O=C(O)C(N)Cc1ncn(c1)CC
InChi:InChI=1S/C8H13N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:2014-02-28
Last modified:2023-11-03
Release date:2014-06-25
Identifier:1-ethyl-L-histidine
OYX
OYX
Name:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
Formula:C24 H28 N2 O S
SMILES:O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1
InChi:InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
OZ3
OZ3
Name:5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine
Formula:C9 H12 N3
SMILES:NCc1ccc2C(=[NH+]Cc2c1)N
InChi:InChI=1S/C9H11N3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4-5,10H2,(H2,11,12)/p+1
Definition date:2022-09-28
Last modified:2023-11-03
Release date:2023-10-04
Identifier:5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine
OZC
OZC
Name:(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
Formula:C20 H17 Cl N2 O
SMILES:Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
OZT
OZT
Name:(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
Formula:C5 H7 N O4
SMILES:C[CH]1OC(=O)N[CH]1C(O)=O
InChi:InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3+/m1/s1
Definition date:2009-06-09
Last modified:2023-11-03
Identifier:(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
OZW
OZW
Name:phenylhydrazinyl phenylalanine
Formula:C15 H17 N3 O2
SMILES:N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O
InChi:InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1
Definition date:2020-04-13
Last modified:2023-11-03
Release date:2020-07-22
Identifier:(2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid
P0X
P0X
Name:4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
Formula:C20 H16 Cl N3 O3
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
7ID
7ID
Name:(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
Formula:C10 H19 N5 O5
SMILES:O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O
InChi:InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
Definition date:2021-08-11
Last modified:2023-11-03
Release date:2021-08-18
Identifier:L-beta-aspartyl-L-arginine
P1V
P1V
Name:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
Formula:C9 H16 N4 O2
SMILES:Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
Definition date:2022-09-29
Last modified:2023-11-03
Release date:2023-01-11
Identifier:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid

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数据于2024-07-10公开中

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