methyl (2S)-3-[cyclopropylcarbamothioyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[cyclopropylcarbamothioyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[2-(tert-butoxycarbonylamino)ethyl-(cyclopropylcarbamothioyl)amino]propanoate CAS Name: (2S)-3-[[(cyclopropylamino)-sulfanylidenemethyl]-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[cyclopropylcarbamothioyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[2-(tert-butoxycarbonylamino)ethyl-(cyclopropylthiocarbamoyl)amino]propionic acid methyl ester Formula: C23H34N4O6S MolecularWeight: 494.60426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=S)NC2CC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(C[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=S)NC2CC2

InChI

InChI=1S/C23H34N4O6S/c1-23(2,3)33-21(29)24-12-13-27(20(34)25-17-10-11-17)14-18(19(28)31-4)26-22(30)32-15-16-8-6-5-7-9-16/h5-9,17-18H,10-15H2,1-4H3,(H,24,29)(H,25,34)(H,26,30)/t18-/m0/s1