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

Systemtic Name: 5-(pyridin-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-(2-pyridylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]pentanoic acid CAS Name: 2-[[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]amino]-5-(2-pyridinylmethylamino)pentanoic acid IUPAC Name: 5-(pyridin-2-ylmethylamino)-2-[[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]amino]pentanoic acid Traditional Name: 5-(2-pyridylmethylamino)-2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]valeric acid Formula: C25H29N5O3 MolecularWeight: 447.52946

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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)CNCC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)CNCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)CNCC3=CC=CC=N3

InChI

InChI=1S/C25H29N5O3/c31-24(20-11-9-19(10-12-20)16-27-18-22-7-2-4-15-29-22)30-23(25(32)33)8-5-13-26-17-21-6-1-3-14-28-21/h1-4,6-7,9-12,14-15,23,26-27H,5,8,13,16-18H2,(H,30,31)(H,32,33)