5-azanyl-N-[4-azanyl-5-(1H-imidazol-5-yl)-3-oxidanylidene-2-(2H-pyran-6-yl)pentan-2-yl]-N-(2-azanyl-3-methyl-pentanoyl)-7-methyl-4-oxidanyl-2-propan-2-yl-octanamide

Systemtic Name: 5-azanyl-N-[4-azanyl-5-(1H-imidazol-5-yl)-3-oxidanylidene-2-(2H-pyran-6-yl)pentan-2-yl]-N-(2-azanyl-3-methyl-pentanoyl)-7-methyl-4-oxidanyl-2-propan-2-yl-octanamide Openeye Name: 5-amino-N-[3-amino-4-(1H-imidazol-5-yl)-1-methyl-2-oxo-1-(2H-pyran-6-yl)butyl]-N-(2-amino-3-methyl-pentanoyl)-4-hydroxy-2-isopropyl-7-methyl-octanamide CAS Name: 5-amino-N-[4-amino-5-(1H-imidazol-5-yl)-3-oxo-2-(2H-pyran-6-yl)pentan-2-yl]-N-(2-amino-3-methyl-1-oxopentyl)-4-hydroxy-7-methyl-2-propan-2-yloctanamide IUPAC Name: 5-amino-N-[4-amino-5-(1H-imidazol-5-yl)-3-oxo-2-(2H-pyran-6-yl)pentan-2-yl]-N-(2-amino-3-methylpentanoyl)-4-hydroxy-7-methyl-2-propan-2-yloctanamide Traditional Name: 5-amino-N-[3-amino-4-(1H-imidazol-5-yl)-2-keto-1-methyl-1-(2H-pyran-6-yl)butyl]-N-(2-amino-3-methyl-pentanoyl)-4-hydroxy-2-isopropyl-7-methyl-caprylamide Formula: C31H52N6O5 MolecularWeight: 588.78178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(=O)C(CC(C(CC(C)C)N)O)C(C)C)C(C)(C1=CC=CCO1)C(=O)C(CC2=CN=CN2)N)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(=O)C(CC(C(CC(C)C)N)O)C(C)C)C(C)(C1=CC=CCO1)C(=O)C(CC2=CN=CN2)N)N

InChI

InChI=1S/C31H52N6O5/c1-8-20(6)27(34)30(41)37(29(40)22(19(4)5)15-25(38)23(32)13-18(2)3)31(7,26-11-9-10-12-42-26)28(39)24(33)14-21-16-35-17-36-21/h9-11,16-20,22-25,27,38H,8,12-15,32-34H2,1-7H3,(H,35,36)