Bis(N-benzyloxycarbonyltetraalanyl)rhodamine
[CAS# 149695-85-2]

Identification

• Name: Bis(N-benzyloxycarbonyltetraalanyl)rhodamine
• Synonyms: Bis(N-Benzyloxycarbonyl-L-Tetraalanyl)Rhodamine; Bis(N-Benzyloxycarbonyltetraalanyl)Rhodamine; Bzt-Ala-R
• Molecular Formula: C₆₀H₆₆N₁₀O₁₅
• Molecular Weight: 1167.24
• CAS Registry Number: 149695-85-2
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OCC1=CC=CC=C1)C)=O)C)=O)C)=O)(NC7=CC4=C(C2(OC(C3=C2C=CC=C3)=O)C5=C(O4)C=C(C=C5)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OCC6=CC=CC=C6)C)=O)C)=O)C)=O)C)=O)C=C7)C
• InChI: 1S/C60H66N10O15/c1-31(55(77)70-56(78)36(6)66-51(73)34(4)64-53(75)38(8)68-59(81)83-30-40-19-13-10-14-20-40)61-41-23-25-45-47(27-41)84-48-28-42(24-26-46(48)60(45)44-22-16-15-21-43(44)57(79)85-60)69-54(76)35(5)65-50(72)32(2)62-49(71)33(3)63-52(74)37(7)67-58(80)82-29-39-17-11-9-12-18-39/h9-28,31-38,61H,29-30H2,1-8H3,(H,62,71)(H,63,74)(H,64,75)(H,65,72)(H,66,73)(H,67,80)(H,68,81)(H,69,76)(H,70,77,78)/t31-,32-,33-,34-,35-,36-,37-,38-,60?/m0/s1
• InChIKey: ZMZIFCCPUGUDQD-GINFTPBTSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 1423.1°C at 760 mmHg (Cal.)
• Flash point: 814.5°C (Cal.)