Callitachykinin I
[CAS# 158275-30-0]

Identification

• Name: Callitachykinin I
• Synonyms: (2S)-1-[(2S)-2-Aminopropanoyl]-N-[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[(1-Carbamoyl-4-Guanidino-Butyl)Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-Amino-1-Oxopropyl]-N-[(1S,2R)-1-[[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1-Carbamoyl-4-Guanidinobutyl)Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxoethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]-2-Hydroxypropyl]-2-Pyrrolidinecarboxamide; (2S)-1-Alanyl-N-[(1S,2R)-1-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[[(1S)-2-[[2-[[(1S)-1-[(1-Carbamoyl-4-Guanidino-Butyl)Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₆H₆₉N₁₃O₁₁
• Molecular Weight: 980.13
• CAS Registry Number: 158275-30-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)C)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N)C
• InChI: 1S/C46H69N13O11/c1-24(2)36(43(68)54-31(38(48)63)13-9-19-51-46(49)50)57-35(62)23-52-40(65)32(22-29-15-17-30(61)18-16-29)56-41(66)33(21-28-11-7-6-8-12-28)55-39(64)26(4)53-44(69)37(27(5)60)58-42(67)34-14-10-20-59(34)45(70)25(3)47/h6-8,11-12,15-18,24-27,31-34,36-37,60-61H,9-10,13-14,19-23,47H2,1-5H3,(H2,48,63)(H,52,65)(H,53,69)(H,54,68)(H,55,64)(H,56,66)(H,57,62)(H,58,67)(H4,49,50,51)/t25-,26-,27+,31?,32-,33-,34-,36-,37-/m0/s1
• InChIKey: SWFGPXQAJWZHSH-DQRIOHDESA-N

Properties

• Density: 1.43g/cm³ (Cal.)