2-azanyl-4-[(1-but-3-enylindol-2-yl)carbonylamino]-5-methyl-3-oxidanylidene-2-(2-oxidanylideneethyl)hexanoic acid

Systemtic Name: 2-azanyl-4-[(1-but-3-enylindol-2-yl)carbonylamino]-5-methyl-3-oxidanylidene-2-(2-oxidanylideneethyl)hexanoic acid Openeye Name: 2-amino-4-[(1-but-3-enylindole-2-carbonyl)amino]-5-methyl-3-oxo-2-(2-oxoethyl)hexanoic acid CAS Name: 2-amino-4-[[(1-but-3-enyl-2-indolyl)-oxomethyl]amino]-5-methyl-3-oxo-2-(2-oxoethyl)hexanoic acid IUPAC Name: 2-amino-4-[(1-but-3-enylindole-2-carbonyl)amino]-5-methyl-3-oxo-2-(2-oxoethyl)hexanoic acid Traditional Name: 2-amino-4-[(1-but-3-enylindole-2-carbonyl)amino]-3-keto-2-(2-ketoethyl)-5-methyl-hexanoic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(CC=O)(C(=O)O)N)NC(=O)C1=CC2=CC=CC=C2N1CCC=C

Isomeric SMILES

CC(C)C(C(=O)C(CC=O)(C(=O)O)N)NC(=O)C1=CC2=CC=CC=C2N1CCC=C

InChI

InChI=1S/C22H27N3O5/c1-4-5-11-25-16-9-7-6-8-15(16)13-17(25)20(28)24-18(14(2)3)19(27)22(23,10-12-26)21(29)30/h4,6-9,12-14,18H,1,5,10-11,23H2,2-3H3,(H,24,28)(H,29,30)