L-Threonyl-L-Tyrosyl-L-Isoleucyl-S-(Phenylmethyl)-L-Cysteinyl-L-alpha-Glutamyl-L-Valyl-L-alpha-Glutamyl-L-alpha-Aspartyl-L-Glutaminyl-L-Lysyl-L-alpha-Glutamyl-L-Glutamic Acid
[CAS# 123380-68-7]

Identification

• Name: L-Threonyl-L-Tyrosyl-L-Isoleucyl-S-(Phenylmethyl)-L-Cysteinyl-L-alpha-Glutamyl-L-Valyl-L-alpha-Glutamyl-L-alpha-Aspartyl-L-Glutaminyl-L-Lysyl-L-alpha-Glutamyl-L-Glutamic Acid
• Synonyms: L-Glutamic Acid, N-(N-(N2-(N2-(N-(N-(N-(N-(S-(Phenylmethyl)-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)-; Aids-000834; Aids000834
• Molecular Formula: C₆₉H₁₀₂N₁₄O₂₆S
• Molecular Weight: 1575.70
• CAS Registry Number: 123380-68-7
• SMILES: [C@H](CC1=CC=C(C=C1)O)(C(N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)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)=O)=O)CSCC2=CC=CC=C2)=O)NC([C@H]([C@@H](C)O)N)=O
• InChI: 1S/C69H102N14O26S/c1-6-35(4)57(83-64(103)46(80-66(105)55(72)36(5)84)30-37-15-17-39(85)18-16-37)68(107)81-48(33-110-32-38-12-8-7-9-13-38)65(104)76-44(22-27-52(91)92)62(101)82-56(34(2)3)67(106)77-43(21-26-51(89)90)61(100)79-47(31-54(95)96)63(102)75-41(19-24-49(71)86)59(98)73-40(14-10-11-29-70)58(97)74-42(20-25-50(87)88)60(99)78-45(69(108)109)23-28-53(93)94/h7-9,12-13,15-18,34-36,40-48,55-57,84-85H,6,10-11,14,19-33,70,72H2,1-5H3,(H2,71,86)(H,73,98)(H,74,97)(H,75,102)(H,76,104)(H,77,106)(H,78,99)(H,79,100)(H,80,105)(H,81,107)(H,82,101)(H,83,103)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,108,109)/t35-,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-,56-,57-/m0/s1
• InChIKey: OMCDPEATGPLASJ-ZKBMWXKLSA-N