4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-2-[(phenethylcarbamoylamino)-phenyl-methyl]butanoic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-2-[(phenethylcarbamoylamino)-phenyl-methyl]butanoic acid Openeye Name: 4-tert-butoxycarbonylsulfanyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]butanoic acid CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]-2-[[[oxo-(phenethylamino)methyl]amino]-phenylmethyl]butanoic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-2-[(phenethylcarbamoylamino)-phenylmethyl]butanoic acid Traditional Name: 4-(tert-butoxycarbonylthio)-2-[(phenethylcarbamoylamino)-phenyl-methyl]butyric acid Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H32N2O5S/c1-25(2,3)32-24(31)33-17-15-20(22(28)29)21(19-12-8-5-9-13-19)27-23(30)26-16-14-18-10-6-4-7-11-18/h4-13,20-21H,14-17H2,1-3H3,(H,28,29)(H2,26,27,30)