methyl 2-[2-azanylpropanoyl-[3-[(4-cyanophenyl)carbonylamino]phenyl]carbonyl-amino]-3-naphthalen-1-yl-propanoate

Systemtic Name: methyl 2-[2-azanylpropanoyl-[3-[(4-cyanophenyl)carbonylamino]phenyl]carbonyl-amino]-3-naphthalen-1-yl-propanoate Openeye Name: methyl 2-[2-aminopropanoyl-[3-[(4-cyanobenzoyl)amino]benzoyl]amino]-3-(1-naphthyl)propanoate CAS Name: 2-[(2-amino-1-oxopropyl)-[[3-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(1-naphthalenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[2-aminopropanoyl-[3-[(4-cyanobenzoyl)amino]benzoyl]amino]-3-naphthalen-1-ylpropanoate Traditional Name: 2-[alanyl-[3-[(4-cyanobenzoyl)amino]benzoyl]amino]-3-(1-naphthyl)propionic acid methyl ester Formula: C32H28N4O5 MolecularWeight: 548.58852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CC1=CC=CC2=CC=CC=C21)C(=O)OC)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

CC(C(=O)N(C(CC1=CC=CC2=CC=CC=C21)C(=O)OC)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C32H28N4O5/c1-20(34)30(38)36(28(32(40)41-2)18-24-9-5-8-22-7-3-4-12-27(22)24)31(39)25-10-6-11-26(17-25)35-29(37)23-15-13-21(19-33)14-16-23/h3-17,20,28H,18,34H2,1-2H3,(H,35,37)