Tert-Butyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]-3-Phenylpropanoyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Carbamate
[CAS# 77303-12-9]

Identification

• Name: Tert-Butyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]-3-Phenylpropanoyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Carbamate
• Synonyms: Tert-Butyl N-[(1S)-2-[[(1S)-2-[[(2S)-2-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]-3-Phenyl-Propanoyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamate; N-[(1S)-2-[[(1S)-2-[[(2S)-2-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Carbamic Acid Tert-Butyl Ester; N-[(1S)-2-[[(1S)-2-[[(2S)-2-[(1,4-Diketo-2,3-Dihydrophthalazin-6-Yl)Amino]-3-Phenyl-Propanoyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₂₈H₃₄N₆O₇
• Molecular Weight: 566.61
• CAS Registry Number: 77303-12-9
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)C)=O)C)=O)(NC2=CC1=C(C(NNC1=O)=O)C=C2)CC3=CC=CC=C3
• InChI: 1S/C28H34N6O7/c1-15(29-22(35)16(2)30-27(40)41-28(3,4)5)23(36)32-26(39)21(13-17-9-7-6-8-10-17)31-18-11-12-19-20(14-18)25(38)34-33-24(19)37/h6-12,14-16,21,31H,13H2,1-5H3,(H,29,35)(H,30,40)(H,33,37)(H,34,38)(H,32,36,39)/t15-,16-,21-/m0/s1
• InChIKey: YEQVNUODDMJNFZ-QYWGDWMGSA-N

Properties

• Density: 1.292g/cm³ (Cal.)