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

Systemtic Name: 2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]-5-(quinolin-2-ylmethylamino)pentanoic acid Openeye Name: 2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]-5-(2-quinolylmethylamino)pentanoic acid CAS Name: 2-[[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]amino]-5-(2-quinolinylmethylamino)pentanoic acid IUPAC Name: 2-[[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]amino]-5-(quinolin-2-ylmethylamino)pentanoic acid Traditional Name: 2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]-5-(2-quinolylmethylamino)valeric acid Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CNCCCC(C(=O)O)NC(=O)C3=CC=C(C=C3)CNCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CNCCCC(C(=O)O)NC(=O)C3=CC=C(C=C3)CNCC4=CC=CC=N4

InChI

InChI=1S/C29H31N5O3/c35-28(23-12-10-21(11-13-23)18-31-19-24-7-3-4-17-32-24)34-27(29(36)37)9-5-16-30-20-25-15-14-22-6-1-2-8-26(22)33-25/h1-4,6-8,10-15,17,27,30-31H,5,9,16,18-20H2,(H,34,35)(H,36,37)