[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2-oxo-2-ureido-ethyl) (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-keto-2-ureido-ethyl) ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-10(2)13(14(21)24-9-12(20)18-15(17)22)19-16(23)25-8-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,19,23)(H3,17,18,20,22)/t13-/m0/s1