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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CCCNC3=CC=CC4=C3N=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CCCNC3=CC=CC4=C3N=CC=C4)C(=O)O

InChI

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