Details
Stereochemistry | MIXED |
Molecular Formula | C112H162N36O43S10 |
Molecular Weight | 3021.35 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 14 / 16 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | Assumed mixed |
SHOW SMILES / InChI
SMILES
CC(=O)NCSC[C@H](NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CSCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)NCC(=O)NCC(=O)N[C@@H](CSC3CC(=O)N(COCN4C(=O)CC(SC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]5CSCC(=O)N[C@H](CC6=CC=C(O)C=C6)C(=O)N[C@@H](CSCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N5)C(N)=O)C4=O)C3=O)C(N)=O
InChI
InChIKey=NQQYGNMPSAJCFD-SLUARSHGSA-N
InChI=1S/C112H162N36O43S10/c1-55(149)129-49-196-41-69(141-89(165)35-125-101(179)71(43-198-51-131-57(3)151)139-85(161)31-119-81(157)27-123-105(183)75-39-194-47-91(167)135-63(19-59-7-11-61(153)12-8-59)107(185)143-73(37-192-17-5-15-113)103(181)127-33-87(163)133-65(21-95(171)172)109(187)145-75)99(177)121-25-79(155)117-29-83(159)137-67(97(115)175)45-200-77-23-93(169)147(111(77)189)53-191-54-148-94(170)24-78(112(148)190)201-46-68(98(116)176)138-84(160)30-118-80(156)26-122-100(178)70(42-197-50-130-56(2)150)142-90(166)36-126-102(180)72(44-199-52-132-58(4)152)140-86(162)32-120-82(158)28-124-106(184)76-40-195-48-92(168)136-64(20-60-9-13-62(154)14-10-60)108(186)144-74(38-193-18-6-16-114)104(182)128-34-88(164)134-66(22-96(173)174)110(188)146-76/h7-14,63-78,153-154H,5-6,15-54,113-114H2,1-4H3,(H2,115,175)(H2,116,176)(H,117,155)(H,118,156)(H,119,157)(H,120,158)(H,121,177)(H,122,178)(H,123,183)(H,124,184)(H,125,179)(H,126,180)(H,127,181)(H,128,182)(H,129,149)(H,130,150)(H,131,151)(H,132,152)(H,133,163)(H,134,164)(H,135,167)(H,136,168)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,165)(H,142,166)(H,143,185)(H,144,186)(H,145,187)(H,146,188)(H,171,172)(H,173,174)/t63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77?,78?/m1/s1
Molecular Formula | C112H162N36O43S10 |
Molecular Weight | 3021.35 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 14 / 16 |
E/Z Centers | 20 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15106974
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15106974
Bibapcitide, a 26 amino acid, bis-succinimidomethyl ether-linked dimer of the peptide apcitide is a component of lyophilized kit having the trade name AcuTect. When pertechnetate (99mTcO4-) is added to the AcuTect radiopharmaceutical kit and the resulting kit is heated, [99mTcO] apcitide forms. This kit is used for scintigraphic imaging of veins to identify acute venous thrombosis in the lower legs.
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:15:19 GMT 2023
by
admin
on
Fri Dec 15 16:15:19 GMT 2023
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Record UNII |
54M83JF5OX
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Record Status |
Validated (UNII)
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Record Version |
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-
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16135469
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7698
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54M83JF5OX
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153507-46-1
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JJ-21
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100000085896
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C166813
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CHEMBL2106413
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SUB05814MIG
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m10505
Created by
admin on Fri Dec 15 16:15:19 GMT 2023 , Edited by admin on Fri Dec 15 16:15:19 GMT 2023
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PRIMARY | Merck Index |