8-azanyl-2-butyl-8-oxidanylidene-3-(prop-2-enoylamino)octanoic acid

Systemtic Name: 8-azanyl-2-butyl-8-oxidanylidene-3-(prop-2-enoylamino)octanoic acid Openeye Name: 8-amino-2-butyl-8-oxo-3-(prop-2-enoylamino)octanoic acid CAS Name: 8-amino-2-butyl-8-oxo-3-(1-oxoprop-2-enylamino)octanoic acid IUPAC Name: 8-amino-2-butyl-8-oxo-3-(prop-2-enoylamino)octanoic acid Traditional Name: 3-acrylamido-8-amino-2-butyl-8-keto-caprylic acid Formula: C15H26N2O4 MolecularWeight: 298.37794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCCC(=O)N)NC(=O)C=C)C(=O)O

Isomeric SMILES

CCCCC(C(CCCCC(=O)N)NC(=O)C=C)C(=O)O

InChI

InChI=1S/C15H26N2O4/c1-3-5-8-11(15(20)21)12(17-14(19)4-2)9-6-7-10-13(16)18/h4,11-12H,2-3,5-10H2,1H3,(H2,16,18)(H,17,19)(H,20,21)