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이름: pyridinium salt

IUPAC: tert-butyl 6-[3-[4-butoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-5-hydroxy-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoate

SMILES: CCCCOC(=O)C(CCc1c[n+](CCCCC(NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc(O)c1CC(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

Canonical SMILES: CCCCOC(=O)C(CCC1=C[N+](=CC(=C1CC(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)O)CCCCC(C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

분자식: C54H71N4O13+

분자량: 984.20

InChIKey: AYGNOFSNYMGKMQ-UHFFFAOYSA-O

InChI: InChI=1S/C54H70N4O13/c1-8-9-31-66-47(60)44(56-51(64)68-36-39-23-15-11-16-24-39)29-28-41-33-58(30-20-19-27-43(48(61)70-53(2,3)4)55-50(63)67-35-38-21-13-10-14-22-38)34-46(59)42(41)32-45(49(62)71-54(5,6)7)57-52(65)69-37-40-25-17-12-18-26-40/h10-18,21-26,33-34,43-45H,8-9,19-20,27-32,35-37H2,1-7H3,(H3-,55,56,57,59,63,64,65)/p+1

PubChem CID: 88012083 →

동의어

SCHEMBL6566156AYGNOFSNYMGKMQ-UHFFFAOYSA-O3-hydroxy-1-(5-benzoxycarbonylamino-5-t-butoxycarbonyl-pentyl)-4-(2-benzyloxycarbonylamino-2-t-butoxycarbonyl-ethyl)-5-(3-benzyloxycarbonylamino-3-butoxycarbonylpropyl) pyridinium

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