(2R)-2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[[2-[[1H-indol-2-yl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-(methylthio)butyric acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C21H21N3O4S/c1-29-11-10-17(21(27)28)24-19(25)14-7-3-5-9-16(14)23-20(26)18-12-13-6-2-4-8-15(13)22-18/h2-9,12,17,22H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t17-/m1/s1