methyl 2-[[2-[2-cyanoethyl-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-[2-cyanoethyl-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-(2-cyanoethyl)amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[N-[2-[2-cyanoethyl-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]ethyl]anilino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-cyanoethyl-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]amino]ethyl-phenylcarbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-(2-cyanoethyl)amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C33H38N6O5 MolecularWeight: 598.69202

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C33H38N6O5/c1-35-30(40)28(23-25-13-6-3-7-14-25)36-32(42)38(20-12-19-34)21-22-39(27-17-10-5-11-18-27)33(43)37-29(31(41)44-2)24-26-15-8-4-9-16-26/h3-11,13-18,28-29H,12,20-24H2,1-2H3,(H,35,40)(H,36,42)(H,37,43)