Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BH97ZT
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| Binder Name |
Cetrorelix acetate
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| Synonyms |
Cetrotide; NS-75A; Cetrorelix (Acetate); Cetrorelix monoacetate; SB-75; SB-075 ACETATE; UNII-XPQ226310Q; XPQ226310Q; D-20761; Cetrotide (TN); Cetrorelix Acetate(Cetrotide)/; SB-075; SCHEMBL61332; NS-75B; Cetrorelix acetate (JAN/USAN); CHEMBL2103735; SCHEMBL19712228; HY-P0009A; ABP000541; BDBM50248241; MFCD00884467; MFCD08459466; Cetrorelix acetate, >=98% (HPLC); AKOS024457671; CS-5843; D01685; D-20453; Q27114298
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| Binder Type |
Small molecular drug
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| Structure |
 |
Download2D MOL
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| Formula |
C72H96ClN17O16
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| Canonical SMILES |
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.CC(=O)O
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| InChI |
1S/C70H92ClN17O14.C2H4O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;1-2(3)4/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);1H3,(H,3,4)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1
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| InChIKey |
KFEFLCOCAHJBEA-ANRVCLKPSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:31387
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