2-[2-[[1-[[1-[(1-cyclohexyl-3-oxidanyl-5-propan-2-yl-hept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylic acid

Systemtic Name: 2-[2-[[1-[[1-[(1-cyclohexyl-3-oxidanyl-5-propan-2-yl-hept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylic acid Openeye Name: 2-[2-[[1-benzyl-2-[[2-[[1-(cyclohexylmethyl)-2-hydroxy-4-isopropyl-hex-5-enyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[2-[[[1-[[1-[(1-cyclohexyl-3-hydroxy-5-propan-2-ylhept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[2-[[1-[[1-[(1-cyclohexyl-3-hydroxy-5-propan-2-ylhept-6-en-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[2-[[1-benzyl-2-[[2-[[1-(cyclohexylmethyl)-2-hydroxy-4-isopropyl-hex-5-enyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid Formula: C42H61N7O7 MolecularWeight: 775.97644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)O)O)C=C

Isomeric SMILES

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)O)O)C=C

InChI

InChI=1S/C42H61N7O7/c1-4-30(27(2)3)23-37(50)32(21-28-13-7-5-8-14-28)45-39(52)34(24-31-25-43-26-44-31)46-38(51)33(22-29-15-9-6-10-16-29)47-40(53)35-17-11-19-48(35)41(54)36-18-12-20-49(36)42(55)56/h4,6,9-10,15-16,25-28,30,32-37,50H,1,5,7-8,11-14,17-24H2,2-3H3,(H,43,44)(H,45,52)(H,46,51)(H,47,53)(H,55,56)