Kallidin
[CAS# 342-10-9]

Identification

• Name: Kallidin
• Synonyms: 2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(2,6-Diaminohexanoylamino)-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-Propanoyl]Amino]-5-Guanidino-Pentanoic Acid; 2-[[2-[[[1-[2-[[2-[[2-[[[1-[[1-[2-[(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]-1-Oxo-3-Phenylpropyl]Amino]-5-Guanidinopentanoic Acid; 2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(2,6-Diaminohexanoylamino)-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-Propanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₅₆H₈₅N₁₇O₁₂
• Molecular Weight: 1188.39
• CAS Registry Number: 342-10-9
• EINECS: 206-438-0
• SMILES: C5=C(CC(NC(=O)C1N(CCC1)C(=O)C(NC(=O)C(NC(=O)CNC(=O)C3N(C(=O)C2N(CCC2)C(=O)C(NC(=O)C(N)CCCCN)CCCN=C(N)N)CCC3)CC4=CC=CC=C4)CO)C(=O)NC(CCCN=C(N)N)C(O)=O)C=CC=C5
• InChI: 1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)
• InChIKey: FYSKZKQBTVLYEQ-UHFFFAOYSA-N

Properties

• Density: 1.477g/cm³ (Cal.)