N6-(2,4-dinitrophenyl)-N2-(1-(N-(N-(1-((7-methoxy-2-oxo-2H-1-benzopyran-3-yl)carbonyl)-L-prolyl)-L-leucyl)glycyl)-L-prolyl)-D-Lysine
[CAS# 127376-94-7]

Identification

• Name: N6-(2,4-dinitrophenyl)-N2-(1-(N-(N-(1-((7-methoxy-2-oxo-2H-1-benzopyran-3-yl)carbonyl)-L-prolyl)-L-leucyl)glycyl)-L-prolyl)-D-Lysine
• Synonyms: (2R)-6-[(2,4-Dinitrophenyl)Amino]-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-(7-Methoxy-2-Oxo-Chromene-3-Carbonyl)Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid; (2R)-6-[(2,4-Dinitrophenyl)Amino]-2-[[[(2S)-1-[2-[[(2S)-2-[[[(2S)-1-[(7-Methoxy-2-Oxo-3-Chromenyl)-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Hexanoic Acid; (2R)-6-[(2,4-Dinitrophenyl)Amino]-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-(2-Keto-7-Methoxy-Chromene-3-Carbonyl)Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid
• Molecular Formula: C₄₁H₅₀N₈O₁₄
• Molecular Weight: 878.89
• CAS Registry Number: 127376-94-7
• SMILES: [C@@H]3(N(C(=O)C2=CC1=CC=C(OC)C=C1OC2=O)CCC3)C(=O)N[C@H](C(=O)NCC(=O)N5[C@H](C(=O)N[C@@H](C(=O)O)CCCCNC4=CC=C([N+]([O-])=O)C=C4[N+]([O-])=O)CCC5)CC(C)C
• InChI: 1S/C41H50N8O14/c1-23(2)18-30(45-38(53)32-10-7-17-47(32)39(54)27-19-24-11-13-26(62-3)21-34(24)63-41(27)57)36(51)43-22-35(50)46-16-6-9-31(46)37(52)44-29(40(55)56)8-4-5-15-42-28-14-12-25(48(58)59)20-33(28)49(60)61/h11-14,19-21,23,29-32,42H,4-10,15-18,22H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)(H,55,56)/t29-,30+,31+,32+/m1/s1
• InChIKey: ZNACYZUBJVGDPQ-ZLESDFJESA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 1240.722°C at 760 mmHg (Cal.)
• Flash point: 704.163°C (Cal.)