(2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H27N5O3/c1-18(31-25(35)16-20-17-30-23-14-8-6-12-21(20)23)28(36)33-27-29(37)34(2)24-15-9-7-13-22(24)26(32-27)19-10-4-3-5-11-19/h3-15,17-18,27,30H,16H2,1-2H3,(H,31,35)(H,33,36)/t18-,27?/m0/s1