61P
概要
| 表記: | 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name) |
| 組成式: | C30 H30 N8 O2 |
| 電荷: | 0 |
| 化学式量: | 534.612 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name) |
| OpenEye OEToolkits | 2.0.4 | 2-azanyl-~{N}-[[3-[(~{E})-[[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-3-(1~{H}-indol-2-yl)propanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(=N\NC(C(N)Cc1nc2c(c1)cccc2)=O)\c3cc(ccc3)[C@H]=NNC(=O)C(N)Cc4cnc5c4cccc5 |
| InChI | InChI | 1.03 | InChI=1S/C30H30N8O2/c31-25(14-22-18-33-28-11-4-2-9-24(22)28)29(39)37-34-16-19-6-5-7-20(12-19)17-35-38-30(40)26(32)15-23-13-21-8-1-3-10-27(21)36-23/h1-13,16-18,25-26,33,36H,14-15,31-32H2,(H,37,39)(H,38,40)/b34-16+,35-17?/t25-,26?/m0/s1 |
| InChIKey | InChI | 1.03 | ZUYUCFMTHKDHJX-JQHDDIPESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(Cc1[nH]c2ccccc2c1)C(=O)N/N=C/c3cccc(\C=N\NC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c3 |
| SMILES | CACTVS | 3.385 | NC(Cc1[nH]c2ccccc2c1)C(=O)NN=Cc3cccc(C=NNC(=O)[CH](N)Cc4c[nH]c5ccccc45)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)C=NNC(=O)C(Cc4c[nH]c5c4cccc5)N)N |
