2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid IUPAC Name: 2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-(4-phenylsulfanylphenyl)sulfonylpropanoic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-[4-(phenylthio)phenyl]sulfonyl-propionic acid Formula: C26H26N2O7S2 MolecularWeight: 542.62384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O7S2/c1-18(27-26(32)35-16-19-8-4-2-5-9-19)24(29)28-23(25(30)31)17-37(33,34)22-14-12-21(13-15-22)36-20-10-6-3-7-11-20/h2-15,18,23H,16-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)