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

Systemtic Name: 2-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]acetyl]amino]succinic acid Formula: C17H28N4O9 MolecularWeight: 432.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O9/c1-8(2)5-9(18)15(27)21-10(3-4-13(23)24)16(28)19-7-12(22)20-11(17(29)30)6-14(25)26/h8-11H,3-7,18H2,1-2H3,(H,19,28)(H,20,22)(H,21,27)(H,23,24)(H,25,26)(H,29,30)