Threonyl-tyrosyl-isoleucyl-cysteinyl-glutamyl-valyl-glutamyl-aspartyl-glutaminyl-lysyl-glutamyl-glutamic acid
[CAS# 126144-46-5]

Identification

• Name: Threonyl-tyrosyl-isoleucyl-cysteinyl-glutamyl-valyl-glutamyl-aspartyl-glutaminyl-lysyl-glutamyl-glutamic acid
• Synonyms: Cd4(81-92); L-Glutamic Acid, N-(N-(N2-(N2-(N-(N-(N-(N-(N-(N-(N-L-Threonyl-L-Tyrosyl)-L-Isoleucyl)-L-Cysteinyl)-L-Alpha-Glutamyl)-L-Valyl)-L-Alpha-Glutamyl)-L-Alpha-Aspartyl)-L-Glutaminyl)-L-Lysyl)-L-Alpha-Glutamyl)-; N-(N-(N2-(N2-(N-(N-(N-(N-(N-(N-(N-L-Threonyl-L-Tyrosyl)-L-Isoleucyl)-L-Cysteinyl)-L-Alpha-Glutamyl)-L-Valyl)-L-Alpha-Glutamyl)-L-Alpha-Aspartyl)-L-Glutaminyl)-L-Lysyl)-L-Alpha-Glutamyl)-L-Glutamic Acid
• Molecular Formula: C₆₂H₉₆N₁₄O₂₆S
• Molecular Weight: 1485.58
• CAS Registry Number: 126144-46-5
• SMILES: [C@@H](C(C)C)(NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=C(C=C1)O)NC([C@H]([C@@H](C)O)N)=O)=O)[C@H](CC)C)=O)CS)=O)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(O)=O)=O)CCC(O)=O)=O)CCCCN
• InChI: 1S/C62H96N14O26S/c1-6-29(4)50(76-57(96)39(73-59(98)48(65)30(5)77)25-31-10-12-32(78)13-11-31)61(100)74-41(27-103)58(97)69-37(17-22-45(84)85)55(94)75-49(28(2)3)60(99)70-36(16-21-44(82)83)54(93)72-40(26-47(88)89)56(95)68-34(14-19-42(64)79)52(91)66-33(9-7-8-24-63)51(90)67-35(15-20-43(80)81)53(92)71-38(62(101)102)18-23-46(86)87/h10-13,28-30,33-41,48-50,77-78,103H,6-9,14-27,63,65H2,1-5H3,(H2,64,79)(H,66,91)(H,67,90)(H,68,95)(H,69,97)(H,70,99)(H,71,92)(H,72,93)(H,73,98)(H,74,100)(H,75,94)(H,76,96)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,101,102)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1
• InChIKey: AZDASIIAIPAELA-UCEFLIQFSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 1931.7°C at 760 mmHg (Cal.)
• Flash point: 1122.1°C (Cal.)