2-L-Phenylalanine-8-L-Ornithine-Oxytocin
[CAS# 99564-33-7]

Identification

• Name: 2-L-Phenylalanine-8-L-Ornithine-Oxytocin
• Synonyms: (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(1S)-4-Amino-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Carbamoyl]-3-Oxo-Propyl]-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Thioxo-Propanoyl]Amino]-3-Phenyl-Propa
• Molecular Formula: C₄₂H₆₅N₁₃O₁₁S₂
• Molecular Weight: 992.18
• CAS Registry Number: 99564-33-7 (2480-41-3)
• SMILES: [C@H](C(NCC(=O)N)=O)(NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C=S)=O)CC2=CC=CC=C2)=O)[C@H](CC)C)=O)CCC(=O)N)=O)CC(=O)N)=O)CS)=O)=O)CCCN
• InChI: 1S/C42H65N13O11S2/c1-3-22(2)34(54-39(63)27(51-35(59)24(44)20-67)17-23-9-5-4-6-10-23)41(65)50-26(13-14-31(45)56)37(61)52-28(18-32(46)57)38(62)53-29(21-68)42(66)55-16-8-12-30(55)40(64)49-25(11-7-15-43)36(60)48-19-33(47)58/h4-6,9-10,20,22,24-30,34,68H,3,7-8,
• InChIKey: BSYJBXQZRHPHRD-OVCMMVBBSA-N

Properties

• Density: 1.338g/cm³ (Cal.)