4-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid

Systemtic Name: 4-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid Openeye Name: 4-[2-(1H-indol-3-yl)ethylamino]-4-oxo-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]-3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[2-(1H-indol-3-yl)ethylamino]-4-oxo-3-[(3-phenyl-2-sulfanylpropanoyl)amino]butanoic acid Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]-4-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]butyric acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NCCC2=CNC3=CC=CC=C32)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NCCC2=CNC3=CC=CC=C32)S

InChI

InChI=1S/C23H25N3O4S/c27-21(28)13-19(26-23(30)20(31)12-15-6-2-1-3-7-15)22(29)24-11-10-16-14-25-18-9-5-4-8-17(16)18/h1-9,14,19-20,25,31H,10-13H2,(H,24,29)(H,26,30)(H,27,28)