Bleomycin bapp
Molecular Formula:
C60H97N19O25S3
InChI: InChI=1/C60H95N19O21S2.H2O4S/c1-6-7-11-66-12-8-13-67-14-9-15-69-53(91)32-22-102-57(75-32)33-23-101-37(74-33)10-16-70-54(92)39(28(5)82)77-52(90)26(3)41(84)27(4)73-56(94)40(78-55(93)38-25(2)49(63)79-51(76-38)30(17-36(62)83)71-18-29(61)50(64)89)46(31-19-68-24-72-31)98-59-48(44(87)42(85)34(20-80)97-59)99-58-45(88)47(100-60(65)95)43(86)35(21-81)96-58;1-5(2,3)4/h19,22-24,26-30,34-35,39-48,58-59,66-67,71,80-82,84-88H,6-18,20-21,61H2,1-5H3,(H2,62,83)(H2,64,89)(H2,65,95)(H,68,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,63,76,79);(H2,1,2,3,4)/t26-,27+,28+,29-,30-,34u,35u,39-,40-,41-,42?,43?,44?,45?,46-,47?,48?,58?,59?;/m0./s1/f/h69-70,72-73,77-78H,62-65H2;1-2H
InChIKey: InChIKey=VDJLTERWGFKNII-ILRNSEDTDX
SMILES: CCCCNCCCNCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)NC(=O)C6=C(C(=NC(=N6)C(CC(=O)N)NCC(C(=O)N)N)N)C)O.OS(=O)(=O)O
Names:
Bleomycin bapp
NSC294979
[2-[2-[(1R,2S)-2-[[6-amino-2-[(1S)-1-[[(2S)-2-amino-2-carbamoyl-ethyl]amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[(2R,3S,4S)-4-[[(1S,2R)-1-[2-[4-[4-[3-(3-butylaminopropylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]-3-hydroxy-pentan-2-yl]carbamoyl]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate; sulfuric acid
Registries:
PubChem CID 5458602
PubChem ID 8140960
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