Locustatachykinin IV
[CAS# 132309-71-8]

Identification

• Name: Locustatachykinin IV
• Synonyms: (2S)-1-[(2S)-2-Aminopropanoyl]-N-[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-Amino-1-Oxopropyl]-N-[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-4-Guanidinobutyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxoethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]-2-Pyrrolidinecarboxamide; (2S)-1-Alanyl-N-[(1S)-2-[[(1S)-1-[[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-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-1-Methylol-Ethyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₇H₇₄N₁₆O₁₁
• Molecular Weight: 1039.20
• CAS Registry Number: 132309-71-8
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3N=CN=C3)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CO
• InChI: 1S/C47H74N16O11/c1-25(2)17-31(59-43(71)34(23-64)61-44(72)35-14-10-16-63(35)46(74)27(5)48)40(68)54-21-36(65)57-32(18-28-11-7-6-8-12-28)42(70)60-33(19-29-20-52-24-56-29)41(69)55-22-37(66)62-38(26(3)4)45(73)58-30(39(49)67)13-9-15-53-47(50)51/h6-8,11-12,20,24-27,29-35,38,64H,9-10,13-19,21-23,48H2,1-5H3,(H2,49,67)(H,54,68)(H,55,69)(H,57,65)(H,58,73)(H,59,71)(H,60,70)(H,61,72)(H,62,66)(H4,50,51,53)/t27-,29?,30-,31-,32-,33-,34-,35-,38-/m0/s1
• InChIKey: NZZLXJYZUFBAJC-PDBVKYENSA-N

Properties

• Density: 1.453g/cm³ (Cal.)