(beta-Mercapto-beta,beta-Cyclopentamethylemepropionic Acid)-2-(O-Ethyl)Tyr-4-Val-8-Lys-N(6)Carboxytetramethylrhodamine Vasopressin
[CAS# 139468-40-9]

Identification

• Name: (beta-Mercapto-beta,beta-Cyclopentamethylemepropionic Acid)-2-(O-Ethyl)Tyr-4-Val-8-Lys-N(6)Carboxytetramethylrhodamine Vasopressin
• Synonyms: R-Clvp; Vasopressin, 1-(Beta-Mercapto-Beta,Beta-Cyclopentamethylene Propionic Acid)-(O-Ethyl)Tyr(2)-Val(4)-Lys(8)-N(6)-Carboxytetramethylrhodamine-; Vasopressin,1-(Beta-Mercapto-Beta,Beta-Cyclopentamethylene Propionic Acid)-(O-Ethyl)Tyrosyl(2)-Valyl(4)-Lysine(8)-N(6)-Carboxytetramethylrhodamine-
• Molecular Formula: C₇₈H₉₇N₁₃O₁₅S₂
• Molecular Weight: 1520.82
• CAS Registry Number: 139468-40-9
• SMILES: [C@H](C(NCC(=O)NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC(=O)CC2(CCC=CC2)S)CC3=CC=C(OCC)C=C3)=O)CC4=CC=CC=C4)=O)C(C)C)=O)CC(=O)N)=O)CS)=O)=O)=O)(N)CCCCNC(C5=CC=C(C(=C5)C6=C8C(=[O+]C7=C6C=CC(=C7)N(C)C)C=C(C=C8)N(C)C)C(=O)[O-])=O
• InChI: 1S/C78H97N13O15S2/c1-8-105-51-27-22-47(23-28-51)37-57(83-65(93)42-78(108)32-14-10-15-33-78)71(97)84-58(36-46-18-11-9-12-19-46)73(99)88-68(45(2)3)75(101)85-59(41-64(80)92)72(98)86-60(44-107)76(102)91-35-17-21-61(91)74(100)87-66(94)43-82-70(96)56(79)20-13-16-34-81-69(95)48-24-29-52(77(103)104)55(38-48)67-53-30-25-49(89(4)5)39-62(53)106-63-40-50(90(6)7)26-31-54(63)67/h9-12,14,18-19,22-31,38-40,45,56-61,68H,8,13,15-17,20-21,32-37,41-44,79H2,1-7H3,(H12-,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,98,99,100,101,103,104,107,108)/t56-,57+,58-,59-,60-,61-,68-,78?/m0/s1
• InChIKey: SYKQAUMNGCITMM-XFWDJTBKSA-N