N-((1,1-Dimethylethoxy)Carbonyl)-L-Isoleucyl-5-Oxo-5-( 1-Piperidinyl)-L-Norvalylglycyl-N-(1,2,3,4-Tetrahydro-1,4-Dioxo-6-Phthalazinyl)-L-Argininamide
[CAS# 84272-64-0]

Identification

• Name: N-((1,1-Dimethylethoxy)Carbonyl)-L-Isoleucyl-5-Oxo-5-( 1-Piperidinyl)-L-Norvalylglycyl-N-(1,2,3,4-Tetrahydro-1,4-Dioxo-6-Phthalazinyl)-L-Argininamide
• Synonyms: Tert-Butyl N-[(1S,2S)-1-[[2-[[(2S)-2-Amino-5-Oxo-5-(1-Piperidyl)Pentanoyl]Amino]Acetyl]-[(2S)-2-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]-5-Guanidino-Pentanoyl]Carbamoyl]-2-Methyl-Butyl]Carbamate; N-[(1S,2S)-1-[[[2-[[(2S)-2-Amino-1,5-Dioxo-5-(1-Piperidyl)Pentyl]Amino]-1-Oxoethyl]-[(2S)-2-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]-5-Guanidino-1-Oxopentyl]Amino]-Oxomethyl]-2-Methylbutyl]Carbamic Acid Tert-Butyl Ester; N-[(1S,2S)-1-[[2-[[(2S)-2-Amino-5-Keto-5-Piperidino-Pentanoyl]Amino]Acetyl]-[(2S)-2-[(1,4-Diketo-2,3-Dihydrophthalazin-6-Yl)Amino]-5-Guanidino-Pentanoyl]Carbamoyl]-2-Methyl-Butyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₃₇H₅₇N₁₁O₉
• Molecular Weight: 799.93
• CAS Registry Number: 84272-64-0
• SMILES: [C@@H]([C@H](NC(OC(C)(C)C)=O)C(=O)N(C(=O)[C@@H](NC1=CC2=C(C=C1)C(=O)NNC2=O)CCCN=C(N)N)C(=O)CNC(=O)[C@@H](N)CCC(=O)N3CCCCC3)(CC)C
• InChI: 1S/C37H57N11O9/c1-6-21(2)29(44-36(56)57-37(3,4)5)34(55)48(28(50)20-42-32(53)25(38)14-15-27(49)47-17-8-7-9-18-47)33(54)26(11-10-16-41-35(39)40)43-22-12-13-23-24(19-22)31(52)46-45-30(23)51/h12-13,19,21,25-26,29,43H,6-11,14-18,20,38H2,1-5H3,(H,42,53)(H,44,56)(H,45,51)(H,46,52)(H4,39,40,41)/t21-,25-,26-,29-/m0/s1
• InChIKey: RMPZEGFRAXPBPF-KXDOSHFCSA-N

Properties

• Density: 1.412g/cm³ (Cal.)