2,8-bis(azanyl)-2-(hydroxymethyl)-3-oxidanylidene-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]octanoic acid

Systemtic Name: 2,8-bis(azanyl)-2-(hydroxymethyl)-3-oxidanylidene-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]octanoic acid Openeye Name: 2,8-diamino-2-(hydroxymethyl)-3-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]octanoic acid CAS Name: 2,8-diamino-2-(hydroxymethyl)-3-oxo-4-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]octanoic acid IUPAC Name: 2,8-diamino-2-(hydroxymethyl)-3-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]octanoic acid Traditional Name: 2,8-diamino-3-keto-2-methylol-4-(pyroglutamoylamino)caprylic acid Formula: C14H24N4O6 MolecularWeight: 344.36356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)NC(CCCCN)C(=O)C(CO)(C(=O)O)N

Isomeric SMILES

C1CC(=O)NC1C(=O)NC(CCCCN)C(=O)C(CO)(C(=O)O)N

InChI

InChI=1S/C14H24N4O6/c15-6-2-1-3-8(11(21)14(16,7-19)13(23)24)18-12(22)9-4-5-10(20)17-9/h8-9,19H,1-7,15-16H2,(H,17,20)(H,18,22)(H,23,24)