(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-phenylethanoylamino)methylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-phenylethanoylamino)methylsulfanyl]propanoic acid Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(1-oxo-2-phenylethyl)amino]methylthio]propanoic acid IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[[(2-phenylacetyl)amino]methylthio]propionic acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCNC(=O)CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSCNC(=O)CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H24N2O5S/c1-17(2,3)24-16(23)19-13(15(21)22)10-25-11-18-14(20)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t13-/m0/s1