| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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 |
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| 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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