2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[2,3-bis(benzoylsulfanyl)propanoylamino]propanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[2,3-bis(benzoylthio)propanoylamino]propionic acid Formula: C33H29NO6S2 MolecularWeight: 599.71646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H29NO6S2/c35-30(29(42-33(39)26-14-8-3-9-15-26)22-41-32(38)25-12-6-2-7-13-25)34-28(31(36)37)20-23-16-18-27(19-17-23)40-21-24-10-4-1-5-11-24/h1-19,28-29H,20-22H2,(H,34,35)(H,36,37)