Cyclo(7-Aminoheptanoyl-Phe-D-Trp-Lys-Thr[Bzl])
[CAS# 84211-54-1]

Identification

• Name: Cyclo(7-Aminoheptanoyl-Phe-D-Trp-Lys-Thr[Bzl])
• Synonyms: (3S,6S,9R,12S)-6-(4-Aminobutyl)-12-(Benzyl)-3-[(1R)-1-(Benzyloxy)Ethyl]-9-(1H-Indol-3-Ylmethyl)-1,4,7,10,13-Pentazacycloicosane-2,5,8,11,14-Pentone; 7-Cpp; Antagonist Srif-A
• Molecular Formula: C₄₄H₅₇N₇O₆
• Molecular Weight: 779.98
• CAS Registry Number: 84211-54-1
• SMILES: [C@H]1(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCNC1=O)CC2=CC=CC=C2)CC3=C[NH]C4=C3C=CC=C4)CCCCN)[C@H](OCC5=CC=CC=C5)C
• InChI: 1S/C44H57N7O6/c1-30(57-29-32-18-8-5-9-19-32)40-44(56)46-25-15-3-2-10-23-39(52)48-37(26-31-16-6-4-7-17-31)42(54)50-38(27-33-28-47-35-21-12-11-20-34(33)35)43(55)49-36(41(53)51-40)22-13-14-24-45/h4-9,11-12,16-21,28,30,36-38,40,47H,2-3,10,13-15,22-27,29,45H2,1H3,(H,46,56)(H,48,52)(H,49,55)(H,50,54)(H,51,53)/t30-,36+,37+,38-,40+/m1/s1
• InChIKey: YHVHQZYJGWGAKN-ZUWUZHNASA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 1118.402°C at 760 mmHg (Cal.)
• Flash point: 630.187°C (Cal.)
• solubility: Soluble to 2 mg/ml in 20% acetonitrile / water