5-azanyl-2-[2-[octadecyl(phenyl)amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[octadecyl(phenyl)amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-(N-octadecylanilino)acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-(N-octadecylanilino)-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-(N-octadecylanilino)acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-(N-stearylanilino)acetyl]amino]valeric acid Formula: C31H53N3O4 MolecularWeight: 531.77022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC(=O)NC(CCC(=O)N)C(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC(=O)NC(CCC(=O)N)C(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C31H53N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34(27-21-18-17-19-22-27)26-30(36)33-28(31(37)38)23-24-29(32)35/h17-19,21-22,28H,2-16,20,23-26H2,1H3,(H2,32,35)(H,33,36)(H,37,38)