[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1OCC

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1OCC

InChI

InChI=1S/C21H32N2O5/c1-6-10-15(5)22-18(24)13-28-21(26)19(14(3)4)23-20(25)16-11-8-9-12-17(16)27-7-2/h8-9,11-12,14-15,19H,6-7,10,13H2,1-5H3,(H,22,24)(H,23,25)/t15?,19-/m0/s1