2-[4-[azanyl(pentanoyl)amino]-4-oxidanylidene-3-(quinolin-2-ylcarbonylamino)butyl]tridecanoic acid

Systemtic Name: 2-[4-[azanyl(pentanoyl)amino]-4-oxidanylidene-3-(quinolin-2-ylcarbonylamino)butyl]tridecanoic acid Openeye Name: 2-[4-[amino(pentanoyl)amino]-4-oxo-3-(quinoline-2-carbonylamino)butyl]tridecanoic acid CAS Name: 2-[4-[amino(1-oxopentyl)amino]-4-oxo-3-[[oxo(2-quinolinyl)methyl]amino]butyl]tridecanoic acid IUPAC Name: 2-[4-[amino(pentanoyl)amino]-4-oxo-3-(quinoline-2-carbonylamino)butyl]tridecanoic acid Traditional Name: 2-[4-[amino(valeryl)amino]-4-keto-3-(quinaldoylamino)butyl]tridecanoic acid Formula: C32H48N4O5 MolecularWeight: 568.74732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(C(=O)N(C(=O)CCCC)N)NC(=O)C1=NC2=CC=CC=C2C=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CCC(C(=O)N(C(=O)CCCC)N)NC(=O)C1=NC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C32H48N4O5/c1-3-5-7-8-9-10-11-12-13-17-25(32(40)41)21-23-28(31(39)36(33)29(37)19-6-4-2)35-30(38)27-22-20-24-16-14-15-18-26(24)34-27/h14-16,18,20,22,25,28H,3-13,17,19,21,23,33H2,1-2H3,(H,35,38)(H,40,41)