O-Methyl-N-(Phenylacetyl)-D-Tyrosyl-L-Phenylalanyl-L-Glutaminyl-L-Asparaginyl-L-Arginyl-L-Prolyl-L-Arginyl-L-Tyrosinamide
[CAS# 135447-36-8]

Identification

• Name: O-Methyl-N-(Phenylacetyl)-D-Tyrosyl-L-Phenylalanyl-L-Glutaminyl-L-Asparaginyl-L-Arginyl-L-Prolyl-L-Arginyl-L-Tyrosinamide
• Synonyms: Phaa-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-Nh2; Phenylacetyl-O-Methyltyrosyl-Phenylalanyl-Glutaminyl-Asparaginyl-Prolyl-Arginyl-Tyrosinamide; Ptmp Linear Avp Antag
• Molecular Formula: C₆₂H₈₃N₁₇O₁₃
• Molecular Weight: 1274.44
• CAS Registry Number: 135447-36-8
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC(=O)CC2=CC=CC=C2)CC3=CC=C(O)C=C3)=O)CC4=CC=CC=C4)=O)CCC(=O)N)=O)CC(=O)N)=O)CCCNC(=N)N)=O)=O)CCCNC(=N)N)=O)CC5=CC=C(OC)C=C5
• InChI: 1S/C62H83N17O13/c1-92-41-24-20-39(21-25-41)31-45(53(65)84)76-54(85)42(15-8-28-70-61(66)67)74-59(90)49-17-10-30-79(49)60(91)44(16-9-29-71-62(68)69)75-58(89)48(35-51(64)82)78-55(86)43(26-27-50(63)81)73-57(88)47(32-36-11-4-2-5-12-36)77-56(87)46(33-38-18-22-40(80)23-19-38)72-52(83)34-37-13-6-3-7-14-37/h2-7,11-14,18-25,42-49,80H,8-10,15-17,26-35H2,1H3,(H2,63,81)(H2,64,82)(H2,65,84)(H,72,83)(H,73,88)(H,74,90)(H,75,89)(H,76,85)(H,77,87)(H,78,86)(H4,66,67,70)(H4,68,69,71)/t42-,43-,44-,45-,46+,47-,48-,49-/m0/s1
• InChIKey: DXRLZDYXMQEIGJ-NDWCYBODSA-N

Properties

• Density: 1.43g/cm³ (Cal.)