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

Systemtic Name: 2-[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-4-methyl-pentanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-4-methyl-pentanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-4-methylpentanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-4-methyl-pentanoyl]amino]propanoylamino]succinic acid Formula: C18H30N4O9 MolecularWeight: 446.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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