O4-tert-butyl O1-methyl 2-[2-azanylpropanoyl-[3-[(4-cyanophenyl)carbonylamino]phenyl]carbonyl-amino]-3-naphthalen-1-yl-butanedioate

Systemtic Name: O4-tert-butyl O1-methyl 2-[2-azanylpropanoyl-[3-[(4-cyanophenyl)carbonylamino]phenyl]carbonyl-amino]-3-naphthalen-1-yl-butanedioate Openeye Name: O1-tert-butyl O4-methyl 3-[2-aminopropanoyl-[3-[(4-cyanobenzoyl)amino]benzoyl]amino]-2-(1-naphthyl)butanedioate CAS Name: 2-[(2-amino-1-oxopropyl)-[[3-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(1-naphthalenyl)butanedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl 2-[2-aminopropanoyl-[3-[(4-cyanobenzoyl)amino]benzoyl]amino]-3-naphthalen-1-ylbutanedioate Traditional Name: 3-[alanyl-[3-[(4-cyanobenzoyl)amino]benzoyl]amino]-2-(1-naphthyl)succinic acid O1-tert-butyl ester O4-methyl ester Formula: C37H36N4O7 MolecularWeight: 648.70434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(C(C1=CC=CC2=CC=CC=C21)C(=O)OC(C)(C)C)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(C(C1=CC=CC2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)OC)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C37H36N4O7/c1-22(39)33(43)41(34(44)26-12-8-13-27(20-26)40-32(42)25-18-16-23(21-38)17-19-25)31(36(46)47-5)30(35(45)48-37(2,3)4)29-15-9-11-24-10-6-7-14-28(24)29/h6-20,22,30-31H,39H2,1-5H3,(H,40,42)