2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)ethylsulfanyl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[2-(phenylmethoxycarbonylamino)ethylthio]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)ethylthio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCCNC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCCNC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H26N2O6S/c1-18(2,3)26-17(24)20-14(15(21)22)12-27-10-9-19-16(23)25-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)