N-[1-[[4-[(5-azanyl-7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)-(2-azanyl-3-methyl-pentanoyl)amino]-1-(4H-imidazol-4-yl)-3-oxidanylidene-4-pyridin-2-yl-butan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[[4-[(5-azanyl-7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)-(2-azanyl-3-methyl-pentanoyl)amino]-1-(4H-imidazol-4-yl)-3-oxidanylidene-4-pyridin-2-yl-butan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: N-[2-[[3-[(5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoyl)-(2-amino-3-methyl-pentanoyl)amino]-1-(4H-imidazol-4-ylmethyl)-2-oxo-3-(2-pyridyl)propyl]-methyl-amino]-1-benzyl-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[[4-[(5-amino-4-hydroxy-7-methyl-1-oxo-2-propan-2-yloctyl)-(2-amino-3-methyl-1-oxopentyl)amino]-1-(4H-imidazol-4-yl)-3-oxo-4-(2-pyridinyl)butan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[[4-[(5-amino-4-hydroxy-7-methyl-2-propan-2-yloctanoyl)-(2-amino-3-methylpentanoyl)amino]-1-(4H-imidazol-4-yl)-3-oxo-4-pyridin-2-ylbutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[2-[[3-[(5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoyl)-(2-amino-3-methyl-pentanoyl)amino]-1-(4H-imidazol-4-ylmethyl)-2-keto-3-(2-pyridyl)propyl]-methyl-amino]-1-benzyl-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C45H67N9O6 MolecularWeight: 830.07018

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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)NC(=O)C4CCCN4)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)NC(=O)C4CCCN4)C(=O)C(CC(C(CC(C)C)N)O)C(C)C)N

InChI

InChI=1S/C45H67N9O6/c1-8-29(6)39(47)45(60)54(43(58)32(28(4)5)24-38(55)33(46)21-27(2)3)40(34-17-12-13-19-49-34)41(56)37(23-31-25-48-26-51-31)53(7)44(59)36(22-30-15-10-9-11-16-30)52-42(57)35-18-14-20-50-35/h9-13,15-17,19,25-29,31-33,35-40,50,55H,8,14,18,20-24,46-47H2,1-7H3,(H,52,57)