| CAS Number | 108212-75-5 |
| Catalog Number | AG008TLI(AGN-PC-0OY6CC) |
| Chemical Name | calicheamicin gamma(1)I |
| IUPAC Name | S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9R,13Z)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate |
| InChI | InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18-/t26-,27+,28-,30+,31+,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55+/m1/s1 |
| InChI Key | HXCHCVDVKSCDHU-GPCZLZLMSA-N |
| MDL Number | MFCD30478834 |
| Molecular Formula | C55H74IN3O21S4 |
| Molecular Weight | 1368.3480 |
| SMILES | O[C@](CC1=O)(C#C/C=CC#C2)/C(C([C@H]2O[C@@](O[C@H](C)[C@@H](NO[C@H](O[C@H](C)[C@H]3SC(C(C(C)=C(I)C(O[C@H](O[C@@H](C)[C@H](O)[C@H]4OC)[C@@H]4O)=C5OC)=C5OC)=O)C[C@@H]3O)[C@@H]6O)([H])[C@@H]6O[C@@](OC[C@@H]7NCC)([H])C[C@@H]7OC)=C1NC(OC)=O)=CCSSSC |
| Synonyms | calicheamicin gamma(1)I,
calichemicin gamma1,
Calicheamicin,
108212-75-5,
calicheamicin gamma(1)I,
Calicheamicin gamma1I,
EX-A2429,
CS-5320,
HY-19609,
Calicheamicin g1,
Calichemicin gamma1,
calicheamicin gamma1,
Calicheamicin gamma(1,I),
N-acetyl Calicheamicin g1,
UNII-99ZHU54I1K,
C55H74IN3O21S4,
ACN-036883,
C55-H74-I-N3-O21-S4,
113440-58-7,
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