4-[[2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-2-(5-methoxycarbonyl-2,3-dihydro-1-benzofuran-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-2-(5-methoxycarbonyl-2,3-dihydro-1-benzofuran-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid Openeye Name: 4-[[2-[acetyl-(2-amino-3-phenyl-propanoyl)amino]-2-(5-methoxycarbonyl-2,3-dihydrobenzofuran-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoic acid CAS Name: 4-[[2-[acetyl-(2-amino-1-oxo-3-phenylpropyl)amino]-2-(5-methoxycarbonyl-2,3-dihydrobenzofuran-3-yl)-4-methyl-1-oxopentyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid IUPAC Name: 4-[[2-[acetyl-(2-amino-3-phenylpropanoyl)amino]-2-(5-methoxycarbonyl-2,3-dihydro-1-benzofuran-3-yl)-4-methylpentanoyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid Traditional Name: 4-[[2-[acetyl(phenylalanyl)amino]-2-(5-carbomethoxycoumaran-3-yl)-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-hydroxy-valeric acid Formula: C38H51N3O9 MolecularWeight: 693.82624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1COC2=C1C=C(C=C2)C(=O)OC)(C(=O)NC(CC3CCCCC3)C(CC(=O)O)O)N(C(=O)C)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)CC(C1COC2=C1C=C(C=C2)C(=O)OC)(C(=O)NC(CC3CCCCC3)C(CC(=O)O)O)N(C(=O)C)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C38H51N3O9/c1-23(2)21-38(29-22-50-33-16-15-27(19-28(29)33)36(47)49-4,41(24(3)42)35(46)30(39)17-25-11-7-5-8-12-25)37(48)40-31(32(43)20-34(44)45)18-26-13-9-6-10-14-26/h5,7-8,11-12,15-16,19,23,26,29-32,43H,6,9-10,13-14,17-18,20-22,39H2,1-4H3,(H,40,48)(H,44,45)