(phenylmethyl) (4S)-4-acetamido-5-(butylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-acetamido-5-(butylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-4-acetamido-5-(butylamino)-5-oxo-pentanoate CAS Name: (4S)-4-acetamido-5-(butylamino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-acetamido-5-(butylamino)-5-oxopentanoate Traditional Name: (4S)-4-acetamido-5-(butylamino)-5-keto-valeric acid benzyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CCCCNC(=O)[C@H](CCC(=O)OCC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C18H26N2O4/c1-3-4-12-19-18(23)16(20-14(2)21)10-11-17(22)24-13-15-8-6-5-7-9-15/h5-9,16H,3-4,10-13H2,1-2H3,(H,19,23)(H,20,21)/t16-/m0/s1