5-(pyridin-2-ylmethylamino)-2-[[4-[(quinolin-8-ylamino)methyl]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-(pyridin-2-ylmethylamino)-2-[[4-[(quinolin-8-ylamino)methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-(2-pyridylmethylamino)-2-[[4-[(8-quinolylamino)methyl]benzoyl]amino]pentanoic acid CAS Name: 2-[[oxo-[4-[(8-quinolinylamino)methyl]phenyl]methyl]amino]-5-(2-pyridinylmethylamino)pentanoic acid IUPAC Name: 5-(pyridin-2-ylmethylamino)-2-[[4-[(quinolin-8-ylamino)methyl]benzoyl]amino]pentanoic acid Traditional Name: 5-(2-pyridylmethylamino)-2-[[4-[(8-quinolylamino)methyl]benzoyl]amino]valeric acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)CNC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)CNCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)CNC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C28H29N5O3/c34-27(33-25(28(35)36)10-5-15-29-19-23-8-1-2-16-30-23)22-13-11-20(12-14-22)18-32-24-9-3-6-21-7-4-17-31-26(21)24/h1-4,6-9,11-14,16-17,25,29,32H,5,10,15,18-19H2,(H,33,34)(H,35,36)