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MC-Gly-Gly-Phe-Gly-(R)-Cyclopropane-Exatecan

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Standard English name
Cas No. 2414254-51-4
Alias MC-Gly-Gly-Phe-Gly-(R)-Cyclopropane-Exatecan , MC-Gly-Gly-Phe-Gly-(R)-Cyclopropane-Exatecan
Canonical Smiles CC1C2CC[C@H](NC(=O)[C@H](OCNC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)CCCCCN3C(=O)C=CC3=O)C3CC3)C3=C4CN5C(=CC6=C(COC(=O)[C@]6(O)CC)C5=O)C4=NC(=CC=1F)C3=2
MDL No. MFCD35237617
Exact Mass 1,073.42946
Smiles N(C([C@H](OCNC(CNC([C@H](CC1=CC=CC=C1)NC(CNC(CNC(CCCCCN2C(=O)C=CC2=O)=O)=O)=O)=O)=O)C3CC3)=O)[C@@H]4C5=C6C(C=7N(C6)C(=O)C8=C(C7)[C@](CC)(O)C(=O)OC8)=NC=9C5=C(CC4)C(C)=C(F)C9
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GHS
Signal Word Warning
Dangerous Goods GHS07
Hazard Category H302;H315;H319;H335
Hazard Codes
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Safety Instructions P261;P305+P351+P338
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Inchi InChI=1S/C55H60FN9O13/c1-3-55(76)35-21-40-49-33(26-65(40)53(74)34(35)27-77-54(55)75)48-37(16-15-32-29(2)36(56)22-38(62-49)47(32)48)63-52(73)50(31-13-14-31)78-28-60-43(68)24-59-51(72)39(20-30-10-6-4-7-11-30)61-44(69)25-58-42(67)23-57-41(66)12-8-5-9-19-64-45(70)17-18-46(64)71/h4,6-7,10-11,17-18,21-22,31,37,39,50,76H,3,5,8-9,12-16,19-20,23-28H2,1-2H3,(H,57,66)(H,58,67)(H,59,72)(H,60,68)(H,61,69)(H,63,73)/t37-,39-,50+,55-/m0/s1
InchiKey WKCCHLIWLNJSMH-ZDPDOTMZSA-N
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