2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-valeric acid Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4/c1-5-13(4)19(22(29)30)26-20(27)17(25-21(28)18(23)12(2)3)10-14-11-24-16-9-7-6-8-15(14)16/h6-9,11-13,17-19,24H,5,10,23H2,1-4H3,(H,25,28)(H,26,27)(H,29,30)