Ornitho-Kinin
[CAS# 14042-92-3]

Identification

• Name: Ornitho-Kinin
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₄₈H₇₇N₁₅O₁₁
• Molecular Weight: 1040.23
• CAS Registry Number: 14042-92-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)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](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)[C@H](O)C)CC4=CC=CC=C4
• InChI: 1S/C48H77N15O11/c1-27(2)24-32(39(66)58-31(46(73)74)15-8-20-55-48(52)53)59-42(69)35-17-10-22-62(35)45(72)38(28(3)64)60-40(67)33(25-29-12-5-4-6-13-29)57-37(65)26-56-41(68)34-16-9-21-61(34)44(71)36-18-11-23-63(36)43(70)30(49)14-7-19-54-47(50)51/h4-6,12-13,27-28,30-36,38,64H,7-11,14-26,49H2,1-3H3,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,50,51,54)(H4,52,53,55)/t28-,30+,31+,32+,33+,34+,35+,36+,38+/m1/s1
• InChIKey: ASWVOLDXJJGVLP-JZFIHROJSA-N

Properties

• Density: 1.477g/cm³ (Cal.)