5-(pyridin-3-ylmethylamino)-2-[[4-[(pyridin-3-ylmethylamino)methyl]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-(pyridin-3-ylmethylamino)-2-[[4-[(pyridin-3-ylmethylamino)methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-(3-pyridylmethylamino)-2-[[4-[(3-pyridylmethylamino)methyl]benzoyl]amino]pentanoic acid CAS Name: 2-[[oxo-[4-[(3-pyridinylmethylamino)methyl]phenyl]methyl]amino]-5-(3-pyridinylmethylamino)pentanoic acid IUPAC Name: 5-(pyridin-3-ylmethylamino)-2-[[4-[(pyridin-3-ylmethylamino)methyl]benzoyl]amino]pentanoic acid Traditional Name: 5-(3-pyridylmethylamino)-2-[[4-[(3-pyridylmethylamino)methyl]benzoyl]amino]valeric acid Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)CNCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CN=C1)CNCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)CNCC3=CN=CC=C3

InChI

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