2-[[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]amino]-4-(methylthio)butyric acid Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C20H27N5O5S/c1-31-7-6-15(20(29)30)24-19(28)16(9-17(22)26)25-18(27)13(21)8-11-10-23-14-5-3-2-4-12(11)14/h2-5,10,13,15-16,23H,6-9,21H2,1H3,(H2,22,26)(H,24,28)(H,25,27)(H,29,30)