Locustatachykinin III
[CAS# 132309-70-7]

Identification

• Name: Locustatachykinin III
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-2-Aminopropanoyl]Pyrrolidine-2-Carbonyl]Amino]-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-Methyl-2-Oxo-Ethyl]Pentanediamide; (2S)-2-[[[(2S)-1-[(2S)-2-Amino-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-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-Methyl-2-Oxoethyl]Pentanediamide; (2S)-2-[[(2S)-1-Alanylpyrrolidine-2-Carbonyl]Amino]-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-Methyl-Ethyl]Glutaramide
• Molecular Formula: C₄₉H₇₃N₁₅O₁₂
• Molecular Weight: 1064.21
• CAS Registry Number: 132309-70-7
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)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/C49H73N15O12/c1-26(2)40(47(75)60-32(41(52)69)12-8-20-55-49(53)54)63-39(68)25-57-43(71)34(23-30-14-16-31(65)17-15-30)62-45(73)35(22-29-10-6-5-7-11-29)59-38(67)24-56-42(70)28(4)58-44(72)33(18-19-37(51)66)61-46(74)36-13-9-21-64(36)48(76)27(3)50/h5-7,10-11,14-17,26-28,32-36,40,65H,8-9,12-13,18-25,50H2,1-4H3,(H2,51,66)(H2,52,69)(H,56,70)(H,57,71)(H,58,72)(H,59,67)(H,60,75)(H,61,74)(H,62,73)(H,63,68)(H4,53,54,55)/t27-,28-,32-,33-,34-,35-,36-,40-/m0/s1
• InChIKey: SRNPLOGDHQCGAR-YXPCIDTISA-N

Properties

• Density: 1.452g/cm³ (Cal.)