(2S)-2-[6-(1H-indol-2-ylcarbonylamino)hexanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[6-(1H-indol-2-ylcarbonylamino)hexanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[6-(1H-indole-2-carbonylamino)hexanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[6-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxohexyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[6-(1H-indole-2-carbonylamino)hexanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[6-(1H-indole-2-carbonylamino)hexanoylamino]-4-(methylthio)butyric acid Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCCCCNC(=O)C1=CC2=CC=CC=C2N1

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CCCCCNC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C20H27N3O4S/c1-28-12-10-16(20(26)27)23-18(24)9-3-2-6-11-21-19(25)17-13-14-7-4-5-8-15(14)22-17/h4-5,7-8,13,16,22H,2-3,6,9-12H2,1H3,(H,21,25)(H,23,24)(H,26,27)/t16-/m0/s1