2-[[(2S)-2-(1H-indol-2-ylcarbonylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[(2S)-2-(1H-indol-2-ylcarbonylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[(2S)-2-(1H-indole-2-carbonylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: 2-[[(2S)-2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-4-mercaptobutanoic acid IUPAC Name: 2-[[(2S)-2-(1H-indole-2-carbonylamino)-3-phenylpropanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: 2-[[(2S)-2-(1H-indole-2-carbonylamino)-3-phenyl-propanoyl]amino]-4-mercapto-butyric acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCS)C(=O)O)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c26-20(24-17(10-11-30)22(28)29)18(12-14-6-2-1-3-7-14)25-21(27)19-13-15-8-4-5-9-16(15)23-19/h1-9,13,17-18,23,30H,10-12H2,(H,24,26)(H,25,27)(H,28,29)/t17?,18-/m0/s1