Hypotrehalosemic hormone, tabanus atratus
[CAS# 125009-46-3]

Identification

• Name: Hypotrehalosemic hormone, tabanus atratus
• Synonyms: (2S)-N-[(1S)-1-[[(1S,2R)-1-[[(1S)-2-[[(1S,2R)-1-[(2S)-2-[[2-[[(1S)-2-[[2-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Hydroxy-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Carbamoyl]-3-Methyl-Butyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-1-[[[(1S,2R)-1-[[[(1S)-2-[[(1S,2R)-1-[[(2S)-2-[[[2-[[(1S)-2-[[2-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-2-Hydroxypropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-2-Hydroxypropyl]Amino]-Oxomethyl]-3-Methylbutyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-1-[[(1S,2R)-1-[[(1S)-2-[[(1S,2R)-1-[(2S)-2-[[2-[[(1S)-2-[[2-[[(1S)-2-Amino-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Hydroxy-Propyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Carbamoyl]-3-Methyl-Butyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₇H₇₄N₁₂O₁₄
• Molecular Weight: 1151.28
• CAS Registry Number: 125009-46-3
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC(C)C)[C@H](O)C)CC2=CC=CC=C2)[C@H](O)C)CCC3)C(=O)NCC(=O)N[C@@H](CC4=C[NH]C5=C4C=CC=C5)C(=O)NCC(=O)N[C@@H](CC6=CC=C(O)C=C6)C(=O)N
• InChI: 1S/C57H74N12O14/c1-30(2)23-41(65-52(78)39-20-21-45(73)62-39)53(79)67-48(31(3)70)56(82)66-42(25-33-11-6-5-7-12-33)54(80)68-49(32(4)71)57(83)69-22-10-15-44(69)55(81)61-29-47(75)64-43(26-35-27-59-38-14-9-8-13-37(35)38)51(77)60-28-46(74)63-40(50(58)76)24-34-16-18-36(72)19-17-34/h5-9,11-14,16-19,27,30-32,39-44,48-49,59,70-72H,10,15,20-26,28-29H2,1-4H3,(H2,58,76)(H,60,77)(H,61,81)(H,62,73)(H,63,74)(H,64,75)(H,65,78)(H,66,82)(H,67,79)(H,68,80)/t31-,32-,39+,40+,41+,42+,43+,44+,48+,49+/m1/s1
• InChIKey: ZPRYIBJWNDQEBJ-VZVMHJBISA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 1661.967°C at 760 mmHg (Cal.)
• Flash point: 958.923°C (Cal.)