methyl (2R)-2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O5S/c1-33-25(30)23(16-19-17-26-22-12-5-4-11-21(19)22)27-24(29)18-9-8-10-20(15-18)34(31,32)28-13-6-2-3-7-14-28/h4-5,8-12,15,17,23,26H,2-3,6-7,13-14,16H2,1H3,(H,27,29)/t23-/m1/s1