Tert-Butyloxycarbonyl-Norleucyl-Glutaminyl-Leucyl-Glycyl-Arginine-7-Amino-4-Methylcoumarin
[CAS# 81943-91-1]

Identification

• Name: Tert-Butyloxycarbonyl-Norleucyl-Glutaminyl-Leucyl-Glycyl-Arginine-7-Amino-4-Methylcoumarin
• Synonyms: Tert-Butyl N-[(1S)-1-[[(1S)-4-Amino-1-[[(1S)-1-[[2-[[(2S)-5-Guanidino-2-[(4-Methyl-2-Oxo-Chromen-7-Yl)Amino]Pentanoyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-4-Oxo-Butyl]Carbamoyl]Pentyl]Carbamate; N-[(1S)-1-[[[(1S)-4-Amino-1-[[[(1S)-1-[[[2-[[(2S)-5-Guanidino-2-[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-1-Oxopentyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-4-Oxobutyl]Amino]-Oxomethyl]Pentyl]Carbamic Acid Tert-Butyl Ester; N-[(1S)-1-[[(1S)-4-Amino-1-[[(1S)-1-[[2-[[(2S)-5-Guanidino-2-[(2-Keto-4-Methyl-Chromen-7-Yl)Amino]Pentanoyl]Amino]-2-Keto-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-4-Keto-Butyl]Carbamoyl]Pentyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₄₀H₆₂N₁₀O₁₀
• Molecular Weight: 842.99
• CAS Registry Number: 81943-91-1
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(OC(C)(C)C)=O)CCCC)CCC(=O)N)(CC(C)C)C(=O)NCC(=O)NC(=O)[C@@H](NC1=CC2=C(C=C1)C(=CC(O2)=O)C)CCCN=C(N)N
• InChI: 1S/C40H62N10O10/c1-8-9-11-27(49-39(58)60-40(5,6)7)35(55)47-28(15-16-31(41)51)36(56)48-29(18-22(2)3)34(54)45-21-32(52)50-37(57)26(12-10-17-44-38(42)43)46-24-13-14-25-23(4)19-33(53)59-30(25)20-24/h13-14,19-20,22,26-29,46H,8-12,15-18,21H2,1-7H3,(H2,41,51)(H,45,54)(H,47,55)(H,48,56)(H,49,58)(H4,42,43,44)(H,50,52,57)/t26-,27-,28-,29-/m0/s1
• InChIKey: WXQGFVOUYGQFJX-DZUOILHNSA-N

Properties

• Density: 1.336g/cm³ (Cal.)