N(beta)-(Leu-Arg-Arg-Leu-Phe)-Naltrexamine
[CAS# 116764-29-5]

Identification

• Name: N(beta)-(Leu-Arg-Arg-Leu-Phe)-Naltrexamine
• Synonyms: N(Beta)-(Leu-Arg-Arg-Leu-Phe)-Naltrexamine; Naltrexamine, N(Beta)-(Leu-Arg-Arg-Leu-Phe)-; Naltrexamine, N(Beta)-(Leucyl-Argininyl-Arginyl-Leucyl-Phenylalanine)-
• Molecular Formula: C₅₃H₈₁N₁₃O₈
• Molecular Weight: 1028.31
• CAS Registry Number: 116764-29-5
• SMILES: [C@@H]16N(CCC34C1(O)CC[C@@H](N[C@H](CC2=CC=CC=C2)C(=O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)[C@H]3OC5=C(O)C=CC(=C45)C6)CC7CC7
• InChI: 1S/C53H81N13O8/c1-29(2)24-34(54)45(68)62-36(12-8-21-59-50(55)56)46(69)63-37(13-9-22-60-51(57)58)47(70)64-38(25-30(3)4)48(71)65-49(72)39(26-31-10-6-5-7-11-31)61-35-18-19-53(73)41-27-33-16-17-40(67)43-42(33)52(53,44(35)74-43)20-23-66(41)28-32-14-15-32/h5-7,10-11,16-17,29-30,32,34-39,41,44,61,67,73H,8-9,12-15,18-28,54H2,1-4H3,(H,62,68)(H,63,69)(H,64,70)(H4,55,56,59)(H4,57,58,60)(H,65,71,72)/t34-,35-,36-,37-,38-,39-,41+,44-,52?,53?/m1/s1
• InChIKey: IUGYARVREPTROV-DZNALWESSA-N

Properties

• Density: 1.459g/cm³ (Cal.)