(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-propanoate

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-propanoate Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[2-oxo-2-(phenethylamino)ethyl]thio]propanoate IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-2-(phenethylamino)ethyl]sulfanylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[[2-keto-2-(phenethylamino)ethyl]thio]propionate Formula: C18H25N2O5S- MolecularWeight: 381.4665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC(=O)NCCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CSCC(=O)NCCC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C18H26N2O5S/c1-18(2,3)25-17(24)20-14(16(22)23)11-26-12-15(21)19-10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,21)(H,20,24)(H,22,23)/p-1/t14-/m1/s1