2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid

Systemtic Name: 2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonylamino]-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid Openeye Name: 2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid CAS Name: 2-[[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]amino]-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid IUPAC Name: 2-[[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]amino]-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid Traditional Name: 2-[[4-[(2-pyridylmethylamino)methyl]benzoyl]amino]-5-(1H-pyrrol-2-ylmethylamino)valeric acid Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CCCNCC3=CC=CN3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)C(=O)NC(CCCNCC3=CC=CN3)C(=O)O

InChI

InChI=1S/C24H29N5O3/c30-23(29-22(24(31)32)7-4-12-25-16-21-6-3-14-28-21)19-10-8-18(9-11-19)15-26-17-20-5-1-2-13-27-20/h1-3,5-6,8-11,13-14,22,25-26,28H,4,7,12,15-17H2,(H,29,30)(H,31,32)