methyl (2S)-3-(4-chloranylbutanoylamino)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(4-chloranylbutanoylamino)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(4-chlorobutanoylamino)propanoate CAS Name: (2S)-3-[(4-chloro-1-oxobutyl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-chlorobutanoylamino)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-chlorobutanoylamino)propionic acid methyl ester Formula: C16H21ClN2O5 MolecularWeight: 356.80134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)CCCCl)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CNC(=O)CCCCl)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21ClN2O5/c1-23-15(21)13(10-18-14(20)8-5-9-17)19-16(22)24-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,20)(H,19,22)/t13-/m0/s1