5-(pyridin-2-ylmethylamino)-2-[4-(pyridin-2-ylmethylamino)butanoylamino]pentanoic acid

Systemtic Name: 5-(pyridin-2-ylmethylamino)-2-[4-(pyridin-2-ylmethylamino)butanoylamino]pentanoic acid Openeye Name: 5-(2-pyridylmethylamino)-2-[4-(2-pyridylmethylamino)butanoylamino]pentanoic acid CAS Name: 2-[[1-oxo-4-(2-pyridinylmethylamino)butyl]amino]-5-(2-pyridinylmethylamino)pentanoic acid IUPAC Name: 5-(pyridin-2-ylmethylamino)-2-[4-(pyridin-2-ylmethylamino)butanoylamino]pentanoic acid Traditional Name: 5-(2-pyridylmethylamino)-2-[4-(2-pyridylmethylamino)butanoylamino]valeric acid Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCCCC(C(=O)O)NC(=O)CCCNCC2=CC=CC=N2

Isomeric SMILES

C1=CC=NC(=C1)CNCCCC(C(=O)O)NC(=O)CCCNCC2=CC=CC=N2

InChI

InChI=1S/C21H29N5O3/c27-20(10-6-12-23-16-18-8-2-4-14-25-18)26-19(21(28)29)9-5-11-22-15-17-7-1-3-13-24-17/h1-4,7-8,13-14,19,22-23H,5-6,9-12,15-16H2,(H,26,27)(H,28,29)