2-[[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-benzamido-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2-benzamido-3-benzoylsulfanyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-benzamido-3-(benzoylthio)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2-benzamido-3-benzoylsulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-benzamido-3-(benzoylthio)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C28H25N3O5S MolecularWeight: 515.5802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C28H25N3O5S/c32-25(18-9-3-1-4-10-18)31-24(17-37-28(36)19-11-5-2-6-12-19)26(33)30-23(27(34)35)15-20-16-29-22-14-8-7-13-21(20)22/h1-14,16,23-24,29H,15,17H2,(H,30,33)(H,31,32)(H,34,35)