5-azanyl-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-N-(2-azanyl-3-methyl-pentanoyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-oxidanyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)octanamide

Systemtic Name: 5-azanyl-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-N-(2-azanyl-3-methyl-pentanoyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-oxidanyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)octanamide Openeye Name: 5-amino-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-(2-amino-3-methyl-pentanoyl)-4-hydroxy-2-isopropyl-7-methyl-3-(p-tolylsulfonyl)-N-(2-pyridylmethyl)octanamide CAS Name: 5-amino-2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-N-(2-amino-3-methyl-1-oxopentyl)-4-hydroxy-7-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-N-(2-pyridinylmethyl)octanamide IUPAC Name: 5-amino-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-(2-amino-3-methylpentanoyl)-4-hydroxy-7-methyl-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)octanamide Traditional Name: 5-amino-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-(2-amino-3-methyl-pentanoyl)-4-hydroxy-2-isopropyl-7-methyl-N-(2-pyridylmethyl)-3-tosyl-caprylamide Formula: C37H55N7O6S MolecularWeight: 725.9409

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC1=CC=CC=N1)C(=O)C(C(C)C)(C(C(C(CC(C)C)N)O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C(CC3=CN=CN3)N)N

Isomeric SMILES

CCC(C)C(C(=O)N(CC1=CC=CC=N1)C(=O)C(C(C)C)(C(C(C(CC(C)C)N)O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C(CC3=CN=CN3)N)N

InChI

InChI=1S/C37H55N7O6S/c1-8-25(7)31(40)35(47)44(20-26-11-9-10-16-42-26)36(48)37(23(4)5,33(46)30(39)18-27-19-41-21-43-27)34(32(45)29(38)17-22(2)3)51(49,50)28-14-12-24(6)13-15-28/h9-16,19,21-23,25,29-32,34,45H,8,17-18,20,38-40H2,1-7H3,(H,41,43)