Sqv-cys[r.i.ck(stearate)-tat9]-peg3400

Structural Information

Molecular Formula

C₁₂₈H₂₂₂N₄₂O₂₂S₂

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H](CSSCC(C(=O)O[C@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)NC(=O)CCCCON)NC(=O)C

InChI

InChI=1S/C128H222N42O22S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-57-105(174)147-65-34-30-50-89(165-119(188)99(154-80(2)171)78-193-194-79-100(156-106(175)58-31-35-72-191-146)121(190)192-102(77-170-76-84-46-25-24-45-83(84)74-101(170)120(189)169-128(3,4)5)97(73-81-42-21-20-22-43-81)167-118(187)98(75-104(132)173)168-116(185)95-60-59-82-44-26-27-47-85(82)155-95)110(179)160-91(53-38-68-150-124(138)139)112(181)162-92(54-39-69-151-125(140)141)113(182)163-94(56-41-71-153-127(144)145)115(184)166-96(61-62-103(131)172)117(186)164-93(55-40-70-152-126(142)143)114(183)161-90(52-37-67-149-123(136)137)111(180)159-88(49-29-33-64-130)109(178)158-87(48-28-32-63-129)108(177)157-86(107(133)176)51-36-66-148-122(134)135/h20-22,26-27,42-44,47,59-60,83-84,86-94,96-102H,6-19,23-25,28-41,45-46,48-58,61-79,129-130,146H2,1-5H3,(H2,131,172)(H2,132,173)(H2,133,176)(H,147,174)(H,154,171)(H,156,175)(H,157,177)(H,158,178)(H,159,180)(H,160,179)(H,161,183)(H,162,181)(H,163,182)(H,164,186)(H,165,188)(H,166,184)(H,167,187)(H,168,185)(H,169,189)(H4,134,135,148)(H4,136,137,149)(H4,138,139,150)(H4,140,141,151)(H4,142,143,152)(H4,144,145,153)/t83-,84+,86+,87+,88+,89+,90+,91+,92+,93+,94+,96+,97-,98-,99+,100?,101-,102+/m0/s1

InChIKey

TUGSXOIKIWBVIK-ACVPRRHCSA-N

Compound name

[(2R,3S)-1-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-phenylbutan-2-yl] 3-[[(2S)-2-acetamido-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-6-amino-1-[[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-(octadecanoylamino)-1-oxohexan-2-yl]amino]-3-oxopropyl]disulfanyl]-2-(5-aminooxypentanoylamino)propanoate

Related CIDs

• CID 16197776