methyl 2-[2-[(2-acetamido-5-methoxy-5-oxidanylidene-pentanoyl)amino]propanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(2-acetamido-5-methoxy-5-oxidanylidene-pentanoyl)amino]propanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[2-[(2-acetamido-5-methoxy-5-oxo-pentanoyl)amino]propanoylamino]-4-methyl-pentanoate CAS Name: 2-[[2-[(2-acetamido-5-methoxy-1,5-dioxopentyl)amino]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[2-[(2-acetamido-5-methoxy-5-oxopentanoyl)amino]propanoylamino]-4-methylpentanoate Traditional Name: 2-[2-[(2-acetamido-5-keto-5-methoxy-pentanoyl)amino]propanoylamino]-4-methyl-valeric acid methyl ester Formula: C18H31N3O7 MolecularWeight: 401.45464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)C(CCC(=O)OC)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)C(CCC(=O)OC)NC(=O)C

InChI

InChI=1S/C18H31N3O7/c1-10(2)9-14(18(26)28-6)21-16(24)11(3)19-17(25)13(20-12(4)22)7-8-15(23)27-5/h10-11,13-14H,7-9H2,1-6H3,(H,19,25)(H,20,22)(H,21,24)