Precorrin 3A
Molecular Formula:
C43H50N4O16
InChI: InChI=1/C43H50N4O16/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30/h15-16,24-25,44-46H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b29-15-,31-16-,41-19-/t24-,25-,42+,43+/m1/s1/f/h48,50,52,54,56,58,60,62H
InChIKey: InChIKey=VNBNVFSXZUYRKF-WMIXQVSMDS
SMILES: CC1=C2C(C(C(=N2)C=C3C(C(C(=CC4=C(C(=C(N4)CC5=C(C(=C1N5)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O
Names:
C05772
Precorrin 3A
Registries:
PubChem CID 5280811
PubChem ID 8067
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