1-Deamino-Arginyl(8)-(Fluorescein)Phenylalanine(9)-Vasotocin
[CAS# 126660-40-0]

Identification

• Name: 1-Deamino-Arginyl(8)-(Fluorescein)Phenylalanine(9)-Vasotocin
• Synonyms: Vasotocin, 1-Desamino-Arg(8)-Fluorescein-Phe(9)-; D9phe(Flu)Avt; 1-(3-Mercaptopropanoic Acid)-8-L-Arginine-9-(4-((((3',6'-Dihydroxy-3-Oxospiro(Isobenzofuran-1(3H),9'-(9H)Xanthen)-6-Yl)Amino)Thioxomethyl)Amino)-L-Phenylalanine)Vasopressin
• Molecular Formula: C₇₄H₈₁N₁₅O₁₈S₃
• Molecular Weight: 1564.72
• CAS Registry Number: 126660-40-0
• SMILES: C1=C(C=C2C(=C1)C(OC23C5=C(OC4=C3C=CC(=C4)O)C=C(C=C5)O)=O)NC(NC%10=CC=C(CC(NC(C(NC(C9N(C(C6CSSCCC(=O)NC(C(=O)NC(C(NC(C(NC(C(N6)=O)CC(N)=O)=O)CCC(N)=O)=O)CC7=CC=CC=C7)CC8=CC=C(C=C8)O)=O)CCC9)=O)CCCNC(N)=N)=O)C(=O)O)C=C%10)=S
• InChI: 1S/C74H81N15O18S3/c75-60(93)25-24-51-64(97)86-54(36-61(76)94)67(100)88-56(37-110-109-29-26-62(95)82-52(31-40-12-17-43(90)18-13-40)65(98)85-53(66(99)83-51)30-38-6-2-1-3-7-38)69(102)89-28-5-9-57(89)68(101)84-50(8-4-27-79-72(77)78)63(96)87-55(70(103)104)32-39-10-14-41(15-11-39)80-73(108)81-42-16-21-46-49(33-42)74(107-71(46)105)47-22-19-44(91)34-58(47)106-59-35-45(92)20-23-48(59)74/h1-3,6-7,10-23,33-35,50-57,90-92H,4-5,8-9,24-32,36-37H2,(H2,75,93)(H2,76,94)(H,82,95)(H,83,99)(H,84,101)(H,85,98)(H,86,97)(H,87,96)(H,88,100)(H,103,104)(H4,77,78,79)(H2,80,81,108)
• InChIKey: KDWOWJXJMHKBLM-UHFFFAOYSA-N

Properties

• Density: 1.58g/cm³ (Cal.)