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

Systemtic Name: 2-[2-(phenylmethoxycarbonylamino)ethanoylamino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid IUPAC Name: 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-3-(4-phenylsulfanylphenyl)sulfonylpropanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-[4-(phenylthio)phenyl]sulfonyl-propionic acid Formula: C25H24N2O7S2 MolecularWeight: 528.59726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H24N2O7S2/c28-23(15-26-25(31)34-16-18-7-3-1-4-8-18)27-22(24(29)30)17-36(32,33)21-13-11-20(12-14-21)35-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,26,31)(H,27,28)(H,29,30)