O0Z
Summary
| Name: | (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide |
| Formula: | C30 H42 N4 O |
| Formal charge: | 0 |
| Formula weight: | 474.681 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H42N4O/c1-2-3-17-31-29(21-26-22-33-28-14-8-7-13-27(26)28)30(35)32-18-15-24-12-9-19-34(20-16-24)23-25-10-5-4-6-11-25/h4-8,10-11,13-14,22,24,29,31,33H,2-3,9,12,15-21,23H2,1H3,(H,32,35)/t24-,29+/m1/s1 |
| InChIKey | InChI | 1.03 | GZBQVFPQSQFJCG-GIGWZHCTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4 |
| SMILES | CACTVS | 3.385 | CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CCCN(CC3)Cc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC(Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCN(CC3)Cc4ccccc4 |
