2-[(2-methylpropan-2-yl)oxycarbonyl-[3-(phenylmethylsulfanyl)propyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[3-(phenylmethylsulfanyl)propyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[3-benzylsulfanylpropyl(tert-butoxycarbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-(phenylmethylthio)propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-benzylsulfanylpropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[3-(benzylthio)propyl-tert-butoxycarbonyl-amino]-3-phenyl-propionic acid Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCSCC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCSCC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H31NO4S/c1-24(2,3)29-23(28)25(15-10-16-30-18-20-13-8-5-9-14-20)21(22(26)27)17-19-11-6-4-7-12-19/h4-9,11-14,21H,10,15-18H2,1-3H3,(H,26,27)