5-[[(2R)-1-(1H-indol-3-yl)-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-2-phenyl-pentanoic acid

Systemtic Name: 5-[[(2R)-1-(1H-indol-3-yl)-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-2-phenyl-pentanoic acid Openeye Name: 5-[[(1R)-1-(1H-indol-3-ylmethyl)-2-sulfanyl-ethyl]amino]-5-oxo-2-phenyl-pentanoic acid CAS Name: 5-[[(2R)-1-(1H-indol-3-yl)-3-mercaptopropan-2-yl]amino]-5-oxo-2-phenylpentanoic acid IUPAC Name: 5-[[(2R)-1-(1H-indol-3-yl)-3-sulfanylpropan-2-yl]amino]-5-oxo-2-phenylpentanoic acid Traditional Name: 5-[[(1R)-1-(1H-indol-3-ylmethyl)-2-mercapto-ethyl]amino]-5-keto-2-phenyl-valeric acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC(=O)NC(CC2=CNC3=CC=CC=C32)CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)CS)C(=O)O

InChI

InChI=1S/C22H24N2O3S/c25-21(11-10-19(22(26)27)15-6-2-1-3-7-15)24-17(14-28)12-16-13-23-20-9-5-4-8-18(16)20/h1-9,13,17,19,23,28H,10-12,14H2,(H,24,25)(H,26,27)/t17-,19?/m1/s1