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

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]-4-(methylthio)butyric acid Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S2/c1-29-7-6-15(19(26)27)22-18(25)16(10-28)23-17(24)13(20)8-11-9-21-14-5-3-2-4-12(11)14/h2-5,9,13,15-16,21,28H,6-8,10,20H2,1H3,(H,22,25)(H,23,24)(H,26,27)