1-9-Kallidin
[CAS# 71800-36-7]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Arginine derivatives
• Name: 1-9-Kallidin
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₅₀H₇₃N₁₃O₁₁
• Molecular Weight: 1032.21
• CAS Registry Number: 71800-36-7
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CCCN=C(N)N)C(=O)N2[C@@H](CCC2)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@@H](CCC3)C(=O)N[C@@H](CC4=CC=CC=C4)C(O)=O)CO)CC5=CC=CC=C5
• InChI: 1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
• InChIKey: AILVBOHFGXNHCC-TZPCGENMSA-N

Properties

• Density: 1.456g/cm³ (Cal.)
• solubility: Soluble to 1 mg/ml in 10% acetonitrile