2-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropylamino]propanoic acid; 6-azanyl-2-[[4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]hexanoic acid

Systemtic Name: 2-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropylamino]propanoic acid; 6-azanyl-2-[[4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]hexanoic acid Openeye Name: 2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropylamino]propanoic acid; 6-amino-2-[(4,5-diamino-5-oxo-pentanoyl)amino]hexanoic acid CAS Name: 2-[2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]propylamino]propanoic acid; 6-amino-2-[(4,5-diamino-1,5-dioxopentyl)amino]hexanoic acid IUPAC Name: 2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropylamino]propanoic acid; 6-amino-2-[(4,5-diamino-5-oxopentanoyl)amino]hexanoic acid Traditional Name: 2-[2-(3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl)oxypropylamino]propionic acid; 6-amino-2-[(4,5-diamino-5-keto-pentanoyl)amino]hexanoic acid Formula: C25H48N6O12 MolecularWeight: 624.68162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(C)C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C.C(CCN)CC(C(=O)O)NC(=O)CCC(C(=O)N)N

Isomeric SMILES

CC(CNC(C)C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C.C(CCN)CC(C(=O)O)NC(=O)CCC(C(=O)N)N

InChI

InChI=1S/C14H26N2O8.C11H22N4O4/c1-6(4-15-7(2)13(20)21)23-12-10(16-8(3)18)14(22)24-9(5-17)11(12)19;12-6-2-1-3-8(11(18)19)15-9(16)5-4-7(13)10(14)17/h6-7,9-12,14-15,17,19,22H,4-5H2,1-3H3,(H,16,18)(H,20,21);7-8H,1-6,12-13H2,(H2,14,17)(H,15,16)(H,18,19)