S-(phenylmethyl) 3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]butanethioate

Systemtic Name: S-(phenylmethyl) 3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]butanethioate Openeye Name: S-benzyl 2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-3-methyl-butanethioate CAS Name: 3-methyl-2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]butanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]butanethioate Traditional Name: 2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-3-methyl-butanethioic acid S-benzyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O5S/c1-14(2)18(21(29)32-13-17-11-9-8-10-12-17)26-20(28)15(3)24-19(27)16(4)25-22(30)31-23(5,6)7/h8-12,14-16,18H,13H2,1-7H3,(H,24,27)(H,25,30)(H,26,28)