Preprovasoactive intestinal peptide (111-122)
[CAS# 123025-94-5]

Identification

• Name: Preprovasoactive intestinal peptide (111-122)
• Synonyms: (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-[[(1S)-1-[(2S)-2-[[(1S)-1-[(2S)-2-[[(1S)-1-Carboxy-2-Methyl-Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-3-Hydroxy-3-Oxo-Propyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-5-[[(1S)-1-[[(2S)-2-[[[(1S)-1-[[(2S)-2-[[[(1S)-1-Carboxy-2-Methylpropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-3-Hydroxy-3-Oxopropyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Keto-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-[[(1S)-1-[(2S)-2-[[(1S)-1-[(2S)-2-[[(1S)-1-Carboxy-2-Methyl-Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-3-Hydroxy-3-Keto-Propyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₅₃H₈₇N₁₃O₂₁
• Molecular Weight: 1242.34
• CAS Registry Number: 123025-94-5
• SMILES: [C@H](C(=O)O)(NC([C@H]1N(CCC1)C([C@@H](NC([C@H]2N(CCC2)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)CO)=O)CO)=O)CC(=O)N)=O)[C@H](CC)C)=O)CO)=O)CCC(=O)O)=O)CC(=O)O)=O)=O)C(C)C)=O)=O)C(C)C
• InChI: 1S/C53H87N13O21/c1-9-26(8)41(64-43(76)28(18-35(54)70)57-45(78)30(20-67)59-46(79)31(21-68)60-49(82)38(55)23(2)3)50(83)61-32(22-69)44(77)56-27(14-15-36(71)72)42(75)58-29(19-37(73)74)51(84)65-16-10-12-33(65)47(80)62-39(24(4)5)52(85)66-17-11-13-34(66)48(81)63-40(25(6)7)53(86)87/h23-34,38-41,67-69H,9-22,55H2,1-8H3,(H2,54,70)(H,56,77)(H,57,78)(H,58,75)(H,59,79)(H,60,82)(H,61,83)(H,62,80)(H,63,81)(H,64,76)(H,71,72)(H,73,74)(H,86,87)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,38-,39-,40-,41-/m0/s1
• InChIKey: HKKDGJFKJBWDQK-FYKWFVNCSA-N
• Protein Sequence: H-Val-Ser-Ser-Asn-Ile-Ser-Glu-Asp-Pro-Val-Pro-Val-OH

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 1700.717°C at 760 mmHg (Cal.)
• Flash point: 982.358°C (Cal.)