Phe(2)-N-epsilon-(2,4)-Dinitrophenol-Lys(6)-Lhrh
[CAS# 100304-55-0]

Identification

• Name: Phe(2)-N-epsilon-(2,4)-Dinitrophenol-Lys(6)-Lhrh
• Synonyms: Gnrh, Phe(2)-N-Epsilon-(2,4)-Dinitrophenol-Lys(6)-; Lhrh, Phe(2)-N-Epsilon-(2,4)-Dinitrophenol-Lys(6)-; Lhrh, Phenylalanyl(2)-N-Epsilon-(2,4)-Dinitrophenollysine(6)-
• Molecular Formula: C₆₈H₈₈N₁₈O₁₇
• Molecular Weight: 1429.55
• CAS Registry Number: 100304-55-0
• SMILES: [C@H](CC1=C[NH]C2=C1C=CC=C2)(NC([C@@H](CC3=CC=CC=C3)NC([C@H]4CCC(N4)=O)=O)=O)C(=O)N[C@@H](CO)C(N[C@H](C(N[C@@H](C(=O)N[C@H](C(N[C@H](C(N5CCC[C@H]5C(NCC(=O)N)=O)=O)CCCNC(N)=N)=O)CC(C)C)CCCCNC6=C(C=C(C=C6)[N+]([O-])=O)[N+]([O-])=O)=O)CC7=CC=C(C=C7)O)=O
• InChI: 1S/C68H88N18O17/c1-38(2)30-50(61(93)78-49(17-10-28-73-68(70)71)67(99)84-29-11-18-55(84)66(98)75-36-57(69)89)79-59(91)47(16-8-9-27-72-46-24-21-42(85(100)101)34-56(46)86(102)103)77-62(94)52(32-40-19-22-43(88)23-20-40)81-65(97)54(37-87)83-64(96)53(33-41-35-74-45-15-7-6-14-44(41)45)82-63(95)51(31-39-12-4-3-5-13-39)80-60(92)48-25-26-58(90)76-48/h3-7,12-15,19-24,34-35,38,47-55,72,74,87-88H,8-11,16-18,25-33,36-37H2,1-2H3,(H2,69,89)(H,75,98)(H,76,90)(H,77,94)(H,78,93)(H,79,91)(H,80,92)(H,81,97)(H,82,95)(H,83,96)(H4,70,71,73)/t47-,48-,49+,50+,51-,52+,53-,54+,55+/m1/s1
• InChIKey: BSNGEDCGOOMPDX-SEHSELDVSA-N

Properties

• Density: 1.5g/cm³ (Cal.)