S-(phenylmethyl) 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]-3-phenyl-propanethioate

Systemtic Name: S-(phenylmethyl) 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]-3-phenyl-propanethioate Openeye Name: S-benzyl 2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-3-phenyl-propanethioate CAS Name: 2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-phenylpropanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]-3-phenylpropanethioate Traditional Name: 2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-3-phenyl-propanethioic acid S-benzyl ester Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)SCC2=CC=CC=C2)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)SCC2=CC=CC=C2)NC(=O)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N3O5S/c1-18(28-23(31)19(2)29-26(34)35-27(3,4)5)24(32)30-22(16-20-12-8-6-9-13-20)25(33)36-17-21-14-10-7-11-15-21/h6-15,18-19,22H,16-17H2,1-5H3,(H,28,31)(H,29,34)(H,30,32)