2,8-bis(azanyl)-2-(4-azanylbutyl)-4-(2-azanylpropanoylamino)-3-oxidanylidene-octanoic acid

Systemtic Name: 2,8-bis(azanyl)-2-(4-azanylbutyl)-4-(2-azanylpropanoylamino)-3-oxidanylidene-octanoic acid Openeye Name: 2,8-diamino-2-(4-aminobutyl)-4-(2-aminopropanoylamino)-3-oxo-octanoic acid CAS Name: 2,8-diamino-2-(4-aminobutyl)-4-[(2-amino-1-oxopropyl)amino]-3-oxooctanoic acid IUPAC Name: 2,8-diamino-2-(4-aminobutyl)-4-(2-aminopropanoylamino)-3-oxooctanoic acid Traditional Name: 4-(alanylamino)-2,8-diamino-2-(4-aminobutyl)-3-keto-caprylic acid Formula: C15H31N5O4 MolecularWeight: 345.43774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H31N5O4/c1-10(18)13(22)20-11(6-2-4-8-16)12(21)15(19,14(23)24)7-3-5-9-17/h10-11H,2-9,16-19H2,1H3,(H,20,22)(H,23,24)