S-(phenylmethyl) 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]-4-methylsulfanyl-butanethioate

Systemtic Name: S-(phenylmethyl) 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]-4-methylsulfanyl-butanethioate Openeye Name: S-benzyl 2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-4-methylsulfanyl-butanethioate CAS Name: 2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]-4-methylsulfanylbutanethioate Traditional Name: 2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-4-(methylthio)butanethioic acid S-benzyl ester Formula: C23H35N3O5S2 MolecularWeight: 497.6711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)SCC1=CC=CC=C1)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)SCC1=CC=CC=C1)NC(=O)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O5S2/c1-15(24-19(27)16(2)25-22(30)31-23(3,4)5)20(28)26-18(12-13-32-6)21(29)33-14-17-10-8-7-9-11-17/h7-11,15-16,18H,12-14H2,1-6H3,(H,24,27)(H,25,30)(H,26,28)