(2S,5S,6S)-2-[(S)-[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxy-oxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-6-[(3R)-3-(4-carboxy-3-methyl-butanoyl)oxy-12-methyl-tridecanoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Molecular Formula:
C42H67N5O21S
InChI: InChI=1/C42H67N5O21S/c1-21(2)12-10-8-6-7-9-11-13-23(63-28(51)17-22(3)16-27(49)50)18-29(52)64-25-20-45(4)31(38(56)46(5)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(19-43)65-41)36-33(54)34(55)39(66-36)47-15-14-26(48)44-42(47)59/h14-15,21-25,30-37,39,41,53-55H,6-13,16-20,43H2,1-5H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)/t22u,23-,24-,25+,30+,31+,32-,33+,34-,35+,36+,37-,39-,41+/m1/s1/f/h44,49,57,60H
InChIKey: InChIKey=LGBOBVYRTQDYBA-WDFIXMRDDD
SMILES: CC(C)CCCCCCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OC4C(C(C(O4)CN)O)OS(=O)(=O)O)C)OC(=O)CC(C)CC(=O)O
Names:
(2S,5S,6S)-2-[(S)-[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxy-oxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-6-[(3R)-3-(4-carboxy-3-methyl-butanoyl)oxy-12-methyl-tridecanoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Registries:
PubChem CID 10866001
PubChem ID 15909807
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