methyl 2-[[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]-3-sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]-3-sulfanyl-propanoyl]amino]ethanoate Openeye Name: methyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-sulfanyl-propanoyl]amino]acetate CAS Name: 2-[[3-mercapto-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-3-sulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-mercapto-propanoyl]amino]acetic acid methyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S/c1-24-14(21)8-17-15(22)12(10-26)19-13(20)7-18-16(23)25-9-11-5-3-2-4-6-11/h2-6,12,26H,7-10H2,1H3,(H,17,22)(H,18,23)(H,19,20)