2-[[1-[2-[1-(1-cyclohexyl-5-ethyl-6-methyl-3-oxidanyl-heptan-2-yl)imidazol-4-yl]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[1-[2-[1-(1-cyclohexyl-5-ethyl-6-methyl-3-oxidanyl-heptan-2-yl)imidazol-4-yl]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[1-benzyl-2-[2-[1-[1-(cyclohexylmethyl)-4-ethyl-2-hydroxy-5-methyl-hexyl]imidazol-4-yl]ethylamino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[[1-[2-[1-(1-cyclohexyl-5-ethyl-3-hydroxy-6-methylheptan-2-yl)-4-imidazolyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[1-[2-[1-(1-cyclohexyl-5-ethyl-3-hydroxy-6-methylheptan-2-yl)imidazol-4-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[1-benzyl-2-[2-[1-[1-(cyclohexylmethyl)-4-ethyl-2-hydroxy-5-methyl-hexyl]imidazol-4-yl]ethylamino]-2-keto-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C36H55N5O5 MolecularWeight: 637.8524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(CC1CCCCC1)N2C=C(N=C2)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)O)O)C(C)C

Isomeric SMILES

CCC(CC(C(CC1CCCCC1)N2C=C(N=C2)CCNC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)O)O)C(C)C

InChI

InChI=1S/C36H55N5O5/c1-4-28(25(2)3)22-33(42)32(21-27-14-9-6-10-15-27)40-23-29(38-24-40)17-18-37-34(43)30(20-26-12-7-5-8-13-26)39-35(44)31-16-11-19-41(31)36(45)46/h5,7-8,12-13,23-25,27-28,30-33,42H,4,6,9-11,14-22H2,1-3H3,(H,37,43)(H,39,44)(H,45,46)