methyl 3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]-(2-phenylsulfanylethyl)amino]propanoate

Systemtic Name: methyl 3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]-(2-phenylsulfanylethyl)amino]propanoate Openeye Name: methyl 3-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]-(2-phenylsulfanylethyl)amino]propanoate CAS Name: 3-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-[2-(phenylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-(2-phenylsulfanylethyl)amino]propanoate Traditional Name: 3-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]-[2-(phenylthio)ethyl]amino]propionic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(CCC(=O)OC)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(CCC(=O)OC)CCSC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O5S/c1-26(2,3)33-25(31)27-22(19-20-11-7-5-8-12-20)24(30)28(16-15-23(29)32-4)17-18-34-21-13-9-6-10-14-21/h5-14,22H,15-19H2,1-4H3,(H,27,31)/t22-/m0/s1