6-azanyl-2-[[5-azanyl-4-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]-octadecanoyl-amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[5-azanyl-4-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]-octadecanoyl-amino]hexanoic acid Openeye Name: 6-amino-2-[[5-amino-4-(2-aminopropanoylamino)-5-oxo-pentanoyl]-octadecanoyl-amino]hexanoic acid CAS Name: 6-amino-2-[[5-amino-4-[(2-amino-1-oxopropyl)amino]-1,5-dioxopentyl]-(1-oxooctadecyl)amino]hexanoic acid IUPAC Name: 6-amino-2-[[5-amino-4-(2-aminopropanoylamino)-5-oxopentanoyl]-octadecanoylamino]hexanoic acid Traditional Name: 2-[[4-(alanylamino)-5-amino-5-keto-pentanoyl]-stearoyl-amino]-6-amino-hexanoic acid Formula: C32H61N5O6 MolecularWeight: 611.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(C(CCCCN)C(=O)O)C(=O)CCC(C(=O)N)NC(=O)C(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(C(CCCCN)C(=O)O)C(=O)CCC(C(=O)N)NC(=O)C(C)N

InChI

InChI=1S/C32H61N5O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(38)37(27(32(42)43)20-18-19-24-33)29(39)23-22-26(30(35)40)36-31(41)25(2)34/h25-27H,3-24,33-34H2,1-2H3,(H2,35,40)(H,36,41)(H,42,43)