Locustatachykinin I
[CAS# 126985-97-5]

Identification

• Name: Locustatachykinin I
• Synonyms: (2S)-1-(2-Aminoacetyl)-N-[(1S)-2-[[2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-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]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Pyrrolidine-2-Carboxamide; (2S)-1-(2-Amino-1-Oxoethyl)-N-[(1S)-2-[[2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-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]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-2-[[2-[[(1S)-1-(Benzyl)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-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-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]-1-Glycyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₃H₆₃N₁₃O₁₁
• Molecular Weight: 938.05
• CAS Registry Number: 126985-97-5
• SMILES: [C@@H]1(N(CCC1)C(=O)CN)C(=O)N[C@@H](CO)C(=O)NCC(=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)N[C@@H](CCCN=C(N)N)C(=O)N
• InChI: 1S/C43H63N13O11/c1-24(2)36(42(67)52-28(37(45)62)10-6-16-48-43(46)47)55-34(60)22-49-38(63)29(19-26-12-14-27(58)15-13-26)53-40(65)30(18-25-8-4-3-5-9-25)51-33(59)21-50-39(64)31(23-57)54-41(66)32-11-7-17-56(32)35(61)20-44/h3-5,8-9,12-15,24,28-32,36,57-58H,6-7,10-11,16-23,44H2,1-2H3,(H2,45,62)(H,49,63)(H,50,64)(H,51,59)(H,52,67)(H,53,65)(H,54,66)(H,55,60)(H4,46,47,48)/t28-,29-,30-,31-,32-,36-/m0/s1
• InChIKey: QVHUTTNZGVKOKQ-LINCNNNZSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• solubility: Soluble to 1 mg/ml in water