(phenylmethyl) (3S)-3-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-2-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (3S)-3-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-2-oxidanylidene-pentanoate Openeye Name: benzyl (3S)-3-[[(2S)-2-aminopropanoyl]amino]-4-methyl-2-oxo-pentanoate CAS Name: (3S)-3-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-2-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-[[(2S)-2-aminopropanoyl]amino]-4-methyl-2-oxopentanoate Traditional Name: (3S)-3-[[(2S)-2-aminopropanoyl]amino]-2-keto-4-methyl-valeric acid benzyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C16H22N2O4/c1-10(2)13(18-15(20)11(3)17)14(19)16(21)22-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,17H2,1-3H3,(H,18,20)/t11-,13-/m0/s1