5-azanyl-N-(2-azanyl-3-methyl-pentanoyl)-N-[3-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-4-(4H-imidazol-4-yl)-2-oxidanylidene-1-pyridin-2-yl-butyl]-7-methyl-4-oxidanyl-2-propan-2-yl-octanamide

Systemtic Name: 5-azanyl-N-(2-azanyl-3-methyl-pentanoyl)-N-[3-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-4-(4H-imidazol-4-yl)-2-oxidanylidene-1-pyridin-2-yl-butyl]-7-methyl-4-oxidanyl-2-propan-2-yl-octanamide Openeye Name: 5-amino-N-(2-amino-3-methyl-pentanoyl)-N-[3-[(2-amino-3-phenyl-propanoyl)-methyl-amino]-4-(4H-imidazol-4-yl)-2-oxo-1-(2-pyridyl)butyl]-4-hydroxy-2-isopropyl-7-methyl-octanamide CAS Name: 5-amino-N-(2-amino-3-methyl-1-oxopentyl)-N-[3-[(2-amino-1-oxo-3-phenylpropyl)-methylamino]-4-(4H-imidazol-4-yl)-2-oxo-1-(2-pyridinyl)butyl]-4-hydroxy-7-methyl-2-propan-2-yloctanamide IUPAC Name: 5-amino-N-(2-amino-3-methylpentanoyl)-N-[3-[(2-amino-3-phenylpropanoyl)-methylamino]-4-(4H-imidazol-4-yl)-2-oxo-1-pyridin-2-ylbutyl]-4-hydroxy-7-methyl-2-propan-2-yloctanamide Traditional Name: 5-amino-N-(2-amino-3-methyl-pentanoyl)-4-hydroxy-N-[4-(4H-imidazol-4-yl)-2-keto-3-[methyl(phenylalanyl)amino]-1-(2-pyridyl)butyl]-2-isopropyl-7-methyl-caprylamide Formula: C40H60N8O5 MolecularWeight: 732.955

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(C1=CC=CC=N1)C(=O)C(CC2C=NC=N2)N(C)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC(C(CC(C)C)N)O)C(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(C1=CC=CC=N1)C(=O)C(CC2C=NC=N2)N(C)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC(C(CC(C)C)N)O)C(C)C)N

InChI

InChI=1S/C40H60N8O5/c1-8-26(6)35(43)40(53)48(38(51)29(25(4)5)21-34(49)30(41)18-24(2)3)36(32-16-12-13-17-45-32)37(50)33(20-28-22-44-23-46-28)47(7)39(52)31(42)19-27-14-10-9-11-15-27/h9-17,22-26,28-31,33-36,49H,8,18-21,41-43H2,1-7H3