[2-[(2-methylphenyl)carbamoylamino]phenyl] 2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]pent-4-ynoate

Systemtic Name: [2-[(2-methylphenyl)carbamoylamino]phenyl] 2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]pent-4-ynoate Openeye Name: [2-(o-tolylcarbamoylamino)phenyl] 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]pent-4-ynoate CAS Name: 2-[acetyl-(2-amino-4-methyl-1-oxopentyl)amino]-4-pentynoic acid [2-[[(2-methylanilino)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-[(2-methylphenyl)carbamoylamino]phenyl] 2-[acetyl-(2-amino-4-methylpentanoyl)amino]pent-4-ynoate Traditional Name: 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]pent-4-ynoic acid [2-(o-tolylcarbamoylamino)phenyl] ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2OC(=O)C(CC#C)N(C(=O)C)C(=O)C(CC(C)C)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2OC(=O)C(CC#C)N(C(=O)C)C(=O)C(CC(C)C)N

InChI

InChI=1S/C27H32N4O5/c1-6-11-23(31(19(5)32)25(33)20(28)16-17(2)3)26(34)36-24-15-10-9-14-22(24)30-27(35)29-21-13-8-7-12-18(21)4/h1,7-10,12-15,17,20,23H,11,16,28H2,2-5H3,(H2,29,30,35)