methyl 2-chloranyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate

Systemtic Name: methyl 2-chloranyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-chloro-acetate CAS Name: 2-chloro-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-chloro-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-chloro-acetic acid methyl ester Formula: C16H21ClN2O5 MolecularWeight: 356.80134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(=O)OC)Cl)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(C(=O)OC)Cl)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21ClN2O5/c1-10(2)12(14(20)19-13(17)15(21)23-3)18-16(22)24-9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3,(H,18,22)(H,19,20)/t12-,13?/m0/s1