2-[8-azanyloctanoyl-[2-[2-(methylamino)ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[8-azanyloctanoyl-[2-[2-(methylamino)ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[8-aminooctanoyl-[4-hydroxy-2-[[2-(methylamino)acetyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(8-amino-1-oxooctyl)-[4-hydroxy-2-[[2-(methylamino)-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[8-aminooctanoyl-[4-hydroxy-2-[[2-(methylamino)acetyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[8-aminooctanoyl-[4-hydroxy-4-keto-2-(sarcosylamino)butanoyl]amino]-3-methyl-butyric acid Formula: C20H36N4O7 MolecularWeight: 444.52244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)CCCCCCCN)C(=O)C(CC(=O)O)NC(=O)CNC

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)CCCCCCCN)C(=O)C(CC(=O)O)NC(=O)CNC

InChI

InChI=1S/C20H36N4O7/c1-13(2)18(20(30)31)24(16(26)9-7-5-4-6-8-10-21)19(29)14(11-17(27)28)23-15(25)12-22-3/h13-14,18,22H,4-12,21H2,1-3H3,(H,23,25)(H,27,28)(H,30,31)