butyl (2S)-2-[[(2S)-2-acetamido-5-butoxy-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: butyl (2S)-2-[[(2S)-2-acetamido-5-butoxy-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoate Openeye Name: butyl (2S)-2-[[(2S)-2-acetamido-5-butoxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-5-butoxy-1,5-dioxopentyl]amino]-4-methylpentanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[(2S)-2-acetamido-5-butoxy-5-oxopentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-5-butoxy-5-keto-pentanoyl]amino]-4-methyl-valeric acid butyl ester Formula: C21H38N2O6 MolecularWeight: 414.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC(C(=O)NC(CC(C)C)C(=O)OCCCC)NC(=O)C

Isomeric SMILES

CCCCOC(=O)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OCCCC)NC(=O)C

InChI

InChI=1S/C21H38N2O6/c1-6-8-12-28-19(25)11-10-17(22-16(5)24)20(26)23-18(14-15(3)4)21(27)29-13-9-7-2/h15,17-18H,6-14H2,1-5H3,(H,22,24)(H,23,26)/t17-,18-/m0/s1