2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-6-(2-azanylpropanoylamino)-4-methylidene-heptanedioic acid

Systemtic Name: 2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-6-(2-azanylpropanoylamino)-4-methylidene-heptanedioic acid Openeye Name: 2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-6-(2-aminopropanoylamino)-4-methylene-heptanedioic acid CAS Name: 2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-6-[(2-amino-1-oxopropyl)amino]-4-methyleneheptanedioic acid IUPAC Name: 2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-6-(2-aminopropanoylamino)-4-methylideneheptanedioic acid Traditional Name: 2-(alanylamino)-6-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-4-methylene-pimelic acid Formula: C16H26N4O8 MolecularWeight: 402.39964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O8/c1-7(5-10(15(25)26)19-13(23)8(2)17)6-11(16(27)28)20-14(24)9(18)3-4-12(21)22/h8-11H,1,3-6,17-18H2,2H3,(H,19,23)(H,20,24)(H,21,22)(H,25,26)(H,27,28)