N-[(5R)-5-acetamido-6-[[(2R)-5-[bis(azanyl)methylideneamino]-1-(ethylamino)-1-oxidanylidene-pentan-2-yl]amino]-6-oxidanylidene-hexyl]pyridine-3-carboxamide

Systemtic Name: N-[(5R)-5-acetamido-6-[[(2R)-5-[bis(azanyl)methylideneamino]-1-(ethylamino)-1-oxidanylidene-pentan-2-yl]amino]-6-oxidanylidene-hexyl]pyridine-3-carboxamide Openeye Name: N-[(5R)-5-acetamido-6-[[(1R)-1-(ethylcarbamoyl)-4-guanidino-butyl]amino]-6-oxo-hexyl]pyridine-3-carboxamide CAS Name: N-[(5R)-5-acetamido-6-[[(2R)-5-(diaminomethylideneamino)-1-(ethylamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-3-pyridinecarboxamide IUPAC Name: N-[(5R)-5-acetamido-6-[[(2R)-5-(diaminomethylideneamino)-1-(ethylamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]pyridine-3-carboxamide Traditional Name: N-[(5R)-5-acetamido-6-[[(1R)-1-(ethylcarbamoyl)-4-guanidino-butyl]amino]-6-keto-hexyl]nicotinamide Formula: C22H36N8O4 MolecularWeight: 476.57244

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCNC(=O)C1=CN=CC=C1)NC(=O)C

Isomeric SMILES

CCNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCNC(=O)C1=CN=CC=C1)NC(=O)C

InChI

InChI=1S/C22H36N8O4/c1-3-26-20(33)17(10-7-13-28-22(23)24)30-21(34)18(29-15(2)31)9-4-5-12-27-19(32)16-8-6-11-25-14-16/h6,8,11,14,17-18H,3-5,7,9-10,12-13H2,1-2H3,(H,26,33)(H,27,32)(H,29,31)(H,30,34)(H4,23,24,28)/t17-,18-/m1/s1