N-(tert-Butoxycarbonal)-phenylalanyl-histidyl-(4-amino-3-hydroxy-5-cyclohexyl)-pentacarbonyl-isoleucyl-(2-amidomethyl)tetrazol
[CAS# 129049-51-0]

Identification

• Name: N-(tert-Butoxycarbonal)-phenylalanyl-histidyl-(4-amino-3-hydroxy-5-cyclohexyl)-pentacarbonyl-isoleucyl-(2-amidomethyl)tetrazol
• Synonyms: Tert-Butyl N-[2-[[2-[[1-(Cyclohexylmethyl)-2-Hydroxy-4-[[2-Methyl-1-(Tetrazol-2-Ylmethylcarbamoyl)Butyl]Amino]-4-Oxo-Butyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamate; N-[2-[[2-[[1-(Cyclohexylmethyl)-2-Hydroxy-4-[[2-Methyl-1-[Oxo-(2-Tetrazolylmethylamino)Methyl]Butyl]Amino]-4-Oxobutyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamic Acid Tert-Butyl Ester; N-[1-(Benzyl)-2-[[2-[[1-(Cyclohexylmethyl)-2-Hydroxy-4-Keto-4-[[2-Methyl-1-(Tetrazol-2-Ylmethylcarbamoyl)Butyl]Amino]Butyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₃₉H₅₉N₁₁O₇
• Molecular Weight: 793.96
• CAS Registry Number: 129049-51-0
• SMILES: C4=C(CC(NC(=O)OC(C)(C)C)C(NC(C(NC(C(CC(NC(C(NC[N]1N=NC=N1)=O)C(C)CC)=O)O)CC2CCCCC2)=O)CC3=CN=C[NH]3)=O)C=CC=C4
• InChI: 1S/C39H59N11O7/c1-6-25(2)34(37(55)42-24-50-44-23-43-49-50)48-33(52)20-32(51)29(17-26-13-9-7-10-14-26)45-36(54)31(19-28-21-40-22-41-28)46-35(53)30(18-27-15-11-8-12-16-27)47-38(56)57-39(3,4)5/h8,11-12,15-16,21-23,25-26,29-32,34,51H,6-7,9-10,13-14,17-20,24H2,1-5H3,(H,40,41)(H,42,55)(H,45,54)(H,46,53)(H,47,56)(H,48,52)
• InChIKey: LXFRBEWNYDBACO-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)