methyl (2R)-2-[[(3S)-5-(azepan-1-yl)-3-methyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[(3S)-5-(azepan-1-yl)-3-methyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[(3S)-5-(azepan-1-yl)-3-methyl-5-oxo-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[(3S)-5-(1-azepanyl)-3-methyl-1,5-dioxopentyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(3S)-5-(azepan-1-yl)-3-methyl-5-oxopentanoyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[(3S)-5-(azepan-1-yl)-5-keto-3-methyl-pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H34N2O4 MolecularWeight: 354.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CC(C)CC(=O)N1CCCCCC1

Isomeric SMILES

C[C@@H](CC(=O)N[C@H](CC(C)C)C(=O)OC)CC(=O)N1CCCCCC1

InChI

InChI=1S/C19H34N2O4/c1-14(2)11-16(19(24)25-4)20-17(22)12-15(3)13-18(23)21-9-7-5-6-8-10-21/h14-16H,5-13H2,1-4H3,(H,20,22)/t15-,16+/m0/s1