3-[2-[(2-azanyl-3-phenyl-propanoyl)-[1-[[1-cyclohexyl-3,5-bis(oxidanyl)-5-oxidanylidene-pentan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid

Systemtic Name: 3-[2-[(2-azanyl-3-phenyl-propanoyl)-[1-[[1-cyclohexyl-3,5-bis(oxidanyl)-5-oxidanylidene-pentan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid Openeye Name: 3-[2-[(2-amino-3-phenyl-propanoyl)-[2-[[1-(cyclohexylmethyl)-2,4-dihydroxy-4-oxo-butyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid CAS Name: 3-[2-[(2-amino-1-oxo-3-phenylpropyl)-[1-[(1-cyclohexyl-3,5-dihydroxy-5-oxopentan-2-yl)amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2,3-dihydrobenzofuran-5-carboxylic acid IUPAC Name: 3-[2-[(2-amino-3-phenylpropanoyl)-[1-[(1-cyclohexyl-3,5-dihydroxy-5-oxopentan-2-yl)amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid Traditional Name: 3-[2-[[2-[[1-(cyclohexylmethyl)-2,4-dihydroxy-4-keto-butyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-keto-ethyl]-phenylalanyl-amino]-2-keto-ethyl]coumaran-5-carboxylic acid Formula: C37H45N5O9 MolecularWeight: 703.7813

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(CC(=O)O)O)NC(=O)C(CC2C=NC=N2)N(C(=O)CC3COC4=C3C=C(C=C4)C(=O)O)C(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1CCC(CC1)CC(C(CC(=O)O)O)NC(=O)C(CC2C=NC=N2)N(C(=O)CC3COC4=C3C=C(C=C4)C(=O)O)C(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C37H45N5O9/c38-28(13-22-7-3-1-4-8-22)36(48)42(33(44)16-25-20-51-32-12-11-24(37(49)50)15-27(25)32)30(17-26-19-39-21-40-26)35(47)41-29(31(43)18-34(45)46)14-23-9-5-2-6-10-23/h1,3-4,7-8,11-12,15,19,21,23,25-26,28-31,43H,2,5-6,9-10,13-14,16-18,20,38H2,(H,41,47)(H,45,46)(H,49,50)