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

Systemtic Name: 2-[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-27-7-6-15(18(25)26)22-16(23)10-21-17(24)13(19)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,15,20H,6-8,10,19H2,1H3,(H,21,24)(H,22,23)(H,25,26)