3-[[1-[2-(1H-indol-2-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(1H-indol-2-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(1H-indole-2-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1H-indol-2-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(1H-indole-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(1H-indole-2-carbonylamino)-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C23H28N4O6/c1-13(2)20(26-21(31)17-10-14-6-3-4-7-16(14)25-17)23(33)27-9-5-8-18(27)22(32)24-15(12-28)11-19(29)30/h3-4,6-7,10,12-13,15,18,20,25H,5,8-9,11H2,1-2H3,(H,24,32)(H,26,31)(H,29,30)