Isovaleryl-histidyl-prolyl-phenylalanyl-histidyl-statine-leucyl-phenylalanine
[CAS# 94162-23-9]

Identification

• Name: Isovaleryl-histidyl-prolyl-phenylalanyl-histidyl-statine-leucyl-phenylalanine
• Synonyms: (2S)-1-[(2S)-2-[[(2R)-2-Amino-2-Methyl-Butanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]-N-[(1S)-2-[[(1S)-2-[[(1S,2S)-4-[[(1S,2S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Hydroxy-1-Isobutyl-4-Oxo-Butyl]Amino]-1-(3H-Imid
• Molecular Formula: C₅₄H₇₇N₁₃O₉
• Molecular Weight: 1052.28
• CAS Registry Number: 94162-23-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@](N)(CC)C)CC2=CN=C[NH]2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)CC5=CN=C[NH]5
• InChI: 1S/C54H77N13O9/c1-7-33(5)46(51(74)62-39(47(55)70)23-34-16-11-9-12-17-34)66-45(69)27-44(68)38(22-32(3)4)61-49(72)41(25-36-28-57-30-59-36)63-48(71)40(24-35-18-13-10-14-19-35)64-50(73)43-20-15-21-67(43)52(75)42(26-37-29-58-31-60-37)65-53(76)54(6,56)8-2/h9-14
• InChIKey: SZMATORSVSGBIL-IDSKXIRVSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 1469.593°C at 760 mmHg (Cal.)
• Flash point: 842.579°C (Cal.)