S-Benzyl-N-(benzyloxycarbonyl)-L-cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-S-benzyl-L-cysteinyl-L-prolyl-L-leucylglycinamide
[CAS# 3274-73-5]

Identification

• Name: S-Benzyl-N-(benzyloxycarbonyl)-L-cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-S-benzyl-L-cysteinyl-L-prolyl-L-leucylglycinamide
• Synonyms: S-Benzyl-N-(Benzyloxycarbonyl)-L-Cysteinyl-L-Tyrosyl-L-Isoleucyl-L-Glutaminyl-L-Asparaginyl-S-Benzyl-L-Cysteinyl-L-Prolyl-L-Leucylglycinamide
• Molecular Formula: C₆₅H₈₆N₁₂O₁₄S₂
• Molecular Weight: 1323.59
• CAS Registry Number: 3274-73-5
• EINECS: 221-903-8
• SMILES: [C@@H]2(N(C([C@@H](N)CSCC1=CC=CC=C1)=O)CCC2)C(N[C@H](C(NCC(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OCC3=CC=CC=C3)CSCC4=CC=CC=C4)=O)CC5=CC=C(C=C5)O)=O)[C@H](CC)C)=O)CCC(=O)N)=O)CC(=O)N)=O)=O)=O)CC(C)C)=O
• InChI: 1S/C65H86N12O14S2/c1-5-40(4)56(76-60(85)49(31-41-23-25-45(78)26-24-41)71-61(86)51(38-93-36-44-20-13-8-14-21-44)74-65(90)91-34-42-16-9-6-10-17-42)63(88)70-47(27-28-53(67)79)58(83)72-50(32-54(68)80)59(84)75-55(81)33-69-57(82)48(30-39(2)3)73-62(87)52-22-15-29-77(52)64(89)46(66)37-92-35-43-18-11-7-12-19-43/h6-14,16-21,23-26,39-40,46-52,56,78H,5,15,22,27-38,66H2,1-4H3,(H2,67,79)(H2,68,80)(H,69,82)(H,70,88)(H,71,86)(H,72,83)(H,73,87)(H,74,90)(H,76,85)(H,75,81,84)/t40-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1
• InChIKey: IQLSPOXZOMMTIE-OSGGSMKZSA-N