(4-ethanoylphenyl) (2S,3S)-2-(aminocarbonylamino)-3-methyl-pentanoate

Systemtic Name: (4-ethanoylphenyl) (2S,3S)-2-(aminocarbonylamino)-3-methyl-pentanoate Openeye Name: (4-acetylphenyl) (2S,3S)-3-methyl-2-ureido-pentanoate CAS Name: (2S,3S)-2-(carbamoylamino)-3-methylpentanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S,3S)-2-(carbamoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-ureido-valeric acid (4-acetylphenyl) ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)C)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC1=CC=C(C=C1)C(=O)C)NC(=O)N

InChI

InChI=1S/C15H20N2O4/c1-4-9(2)13(17-15(16)20)14(19)21-12-7-5-11(6-8-12)10(3)18/h5-9,13H,4H2,1-3H3,(H3,16,17,20)/t9-,13-/m0/s1