2-[[2-[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]propanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]propanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C18H30N4O9 MolecularWeight: 446.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C18H30N4O9/c1-8(2)6-12(18(30)31)22-17(29)11(7-14(25)26)21-15(27)9(3)20-16(28)10(19)4-5-13(23)24/h8-12H,4-7,19H2,1-3H3,(H,20,28)(H,21,27)(H,22,29)(H,23,24)(H,25,26)(H,30,31)