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

Systemtic Name: 2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butyric acid Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4S/c1-13(2)10-16(23)20(27)26-19(21(28)25-18(22(29)30)8-9-31-3)11-14-12-24-17-7-5-4-6-15(14)17/h4-7,12-13,16,18-19,24H,8-11,23H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)