[2-[(2-methylphenyl)carbamoylamino]phenyl] 2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]hex-5-enoate

Systemtic Name: [2-[(2-methylphenyl)carbamoylamino]phenyl] 2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]hex-5-enoate Openeye Name: [2-(o-tolylcarbamoylamino)phenyl] 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]hex-5-enoate CAS Name: 2-[acetyl-(2-amino-4-methyl-1-oxopentyl)amino]-5-hexenoic acid [2-[[(2-methylanilino)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-[(2-methylphenyl)carbamoylamino]phenyl] 2-[acetyl-(2-amino-4-methylpentanoyl)amino]hex-5-enoate Traditional Name: 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]hex-5-enoic acid [2-(o-tolylcarbamoylamino)phenyl] ester Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H36N4O5/c1-6-7-15-24(32(20(5)33)26(34)21(29)17-18(2)3)27(35)37-25-16-11-10-14-23(25)31-28(36)30-22-13-9-8-12-19(22)4/h6,8-14,16,18,21,24H,1,7,15,17,29H2,2-5H3,(H2,30,31,36)