(2S,2'S)-N,N'-{1,2-Hydrazinediylbis[(2S)-1-oxo-3-phenyl-1,2-propanediyl]}bis{1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-pyrrolidinecarboxamide}
[CAS# 88191-66-6]

Identification

• Name: (2S,2'S)-N,N'-{1,2-Hydrazinediylbis[(2S)-1-oxo-3-phenyl-1,2-propanediyl]}bis{1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-pyrrolidinecarboxamide}
• Synonyms: Bis(tyrosyl-prolyl-phenylalaninamide)hydrazide; Bis(tyr-pro-phenh2)hydrazide; Csmso2
• Molecular Formula: C₄₆H₅₄N₈O₈
• Molecular Weight: 846.97
• CAS Registry Number: 88191-66-6
• SMILES: O=C(N[C@H](C(=O)NNC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N)Cc1ccc(O)cc1)CCC2)Cc3ccccc3)Cc4ccccc4)[C@H]6N(C(=O)[C@@H](N)Cc5ccc(O)cc5)CCC6
• InChI: 1S/C46H54N8O8/c47-35(25-31-15-19-33(55)20-16-31)45(61)53-23-7-13-39(53)43(59)49-37(27-29-9-3-1-4-10-29)41(57)51-52-42(58)38(28-30-11-5-2-6-12-30)50-44(60)40-14-8-24-54(40)46(62)36(48)26-32-17-21-34(56)22-18-32/h1-6,9-12,15-22,35-40,55-56H,7-8,13-14,23-28,47-48H2,(H,49,59)(H,50,60)(H,51,57)(H,52,58)/t35-,36-,37-,38-,39-,40-/m0/s1
• InChIKey: RMACIYZJIUOQSV-UNHORJANSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 1225.343°C at 760 mmHg (Cal.)
• Flash point: 694.863°C (Cal.)