methyl 2-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanethioylamino]ethanoate

Systemtic Name: methyl 2-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanethioylamino]ethanoate Openeye Name: methyl 2-[[2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]ethanethioyl]amino]acetate CAS Name: 2-[[2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-sulfanylideneethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanethioyl]amino]acetate Traditional Name: 2-[[2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]thioacetyl]amino]acetic acid methyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=S)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-11(15(21)18-8-13(25)17-9-14(20)23-2)19-16(22)24-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,25)(H,18,21)(H,19,22)/t11-/m0/s1