Secretin (21-27)
[CAS# 45323-83-9]

Identification

• Name: Secretin (21-27)
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-N-[2-[[(1S)-1-[[(1S)-1-Carbamoyl-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Pentanediamide; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-N-[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-2-Methylpropyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Pentanediamide; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-N-[2-[[(1S)-1-[[(1S)-1-Carbamoyl-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Glutaramide
• Molecular Formula: C₃₆H₆₈N₁₂O₈
• Molecular Weight: 797.01
• CAS Registry Number: 45323-83-9
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC(C)C)(CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N
• InChI: 1S/C36H68N12O8/c1-18(2)14-24(35(56)48-29(21(7)8)30(39)51)44-28(50)17-43-32(53)23(11-12-27(38)49)45-33(54)26(16-20(5)6)47-34(55)25(15-19(3)4)46-31(52)22(37)10-9-13-42-36(40)41/h18-26,29H,9-17,37H2,1-8H3,(H2,38,49)(H2,39,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)(H,47,55)(H,48,56)(H4,40,41,42)/t22-,23-,24-,25-,26-,29-/m0/s1
• InChIKey: YBMXBJXMYNRVEZ-WTWMNNMUSA-N

Properties

• Density: 1.332g/cm³ (Cal.)