Sar-Val-Tyr-Ile-His-Pro-Ile Acetate Salt
[CAS# 116331-58-9]

Identification

• Name: Sar-Val-Tyr-Ile-His-Pro-Ile Acetate Salt
• Synonyms: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-3-Methyl-2-[(2-Methylaminoacetyl)Amino]Butanoyl]Amino]Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Pentanoic Acid; (2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-3-Methyl-2-[(2-Methylamino-1-Oxoethyl)Amino]-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methylpentanoic Acid; (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-3-Methyl-2-(Sarcosylamino)Butanoyl]Amino]Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Valeric Acid
• Molecular Formula: C₄₀H₆₁N₉O₉
• Molecular Weight: 811.98
• CAS Registry Number: 116331-58-9
• SMILES: [C@H](CC1=CC=C(C=C1)O)(C(=O)N[C@H](C(N[C@@H](CC2=CN=C[NH]2)C(N3CCC[C@H]3C(N[C@H](C(O)=O)[C@H](CC)C)=O)=O)=O)[C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)CNC
• InChI: 1S/C40H61N9O9/c1-8-23(5)33(47-35(52)28(17-25-12-14-27(50)15-13-25)44-37(54)32(22(3)4)46-31(51)20-41-7)38(55)45-29(18-26-19-42-21-43-26)39(56)49-16-10-11-30(49)36(53)48-34(40(57)58)24(6)9-2/h12-15,19,21-24,28-30,32-34,41,50H,8-11,16-18,20H2,1-7H3,(H,42,43)(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)(H,57,58)/t23-,24-,28-,29-,30-,32-,33-,34-/m0/s1
• InChIKey: CWYSINAKYPWESJ-KCPCHNEOSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 1221.244°C at 760 mmHg (Cal.)
• Flash point: 692.383°C (Cal.)