[(2-acetamido-3-methyl-butanoyl)-[4-[(1-cyclohexyl-4-methyl-2-oxidanylidene-pentan-3-yl)-ethanoyl-amino]-1-phenyl-butyl]amino] 2-pyridin-3-ylethanoate

Systemtic Name: [(2-acetamido-3-methyl-butanoyl)-[4-[(1-cyclohexyl-4-methyl-2-oxidanylidene-pentan-3-yl)-ethanoyl-amino]-1-phenyl-butyl]amino] 2-pyridin-3-ylethanoate Openeye Name: [(2-acetamido-3-methyl-butanoyl)-[4-[acetyl-(3-cyclohexyl-1-isopropyl-2-oxo-propyl)amino]-1-phenyl-butyl]amino] 2-(3-pyridyl)acetate CAS Name: 2-(3-pyridinyl)acetic acid [(2-acetamido-3-methyl-1-oxobutyl)-[4-[acetyl-(1-cyclohexyl-4-methyl-2-oxopentan-3-yl)amino]-1-phenylbutyl]amino] ester IUPAC Name: [(2-acetamido-3-methylbutanoyl)-[4-[acetyl-(1-cyclohexyl-4-methyl-2-oxopentan-3-yl)amino]-1-phenylbutyl]amino] 2-pyridin-3-ylacetate Traditional Name: 2-(3-pyridyl)acetic acid [(2-acetamido-3-methyl-butanoyl)-[4-[acetyl-(3-cyclohexyl-1-isopropyl-2-keto-propyl)amino]-1-phenyl-butyl]amino] ester Formula: C38H54N4O6 MolecularWeight: 662.85856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C(CCCN(C(C(C)C)C(=O)CC1CCCCC1)C(=O)C)C2=CC=CC=C2)OC(=O)CC3=CN=CC=C3)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)N(C(CCCN(C(C(C)C)C(=O)CC1CCCCC1)C(=O)C)C2=CC=CC=C2)OC(=O)CC3=CN=CC=C3)NC(=O)C

InChI

InChI=1S/C38H54N4O6/c1-26(2)36(40-28(5)43)38(47)42(48-35(46)24-31-17-13-21-39-25-31)33(32-18-11-8-12-19-32)20-14-22-41(29(6)44)37(27(3)4)34(45)23-30-15-9-7-10-16-30/h8,11-13,17-19,21,25-27,30,33,36-37H,7,9-10,14-16,20,22-24H2,1-6H3,(H,40,43)