(2R)-2-[[2-(1H-indol-5-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(1H-indol-5-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(1H-indole-5-carbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[1H-indol-5-yl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(1H-indole-5-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(1H-indole-5-carbonylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C22H23N3O4S/c26-20(16-6-7-17-15(13-16)8-10-23-17)24-18(9-11-30)21(27)25-19(22(28)29)12-14-4-2-1-3-5-14/h1-8,10,13,18-19,23,30H,9,11-12H2,(H,24,26)(H,25,27)(H,28,29)/t18?,19-/m1/s1