IUPAC: 2-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-3-pyridinyl]acetic acid
SMILES:
O=C(O)Cc1ccc(-c2ccc(C(CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)[nH]2)nc1Canonical SMILES:
C1CC1S(=O)(=O)C2=CC=C(C=C2)C(CC3CCOCC3)C4=CC=C(N4)C5=NC=C(C=C5)CC(=O)O분자식: C27H30N2O5S
분자량: 494.60
InChIKey: YGCYHBLBMJNDPH-UHFFFAOYSA-N
InChI:
PubChem CID: 59331324 →InChI=1S/C27H30N2O5S/c30-27(31)16-19-1-8-25(28-17-19)26-10-9-24(29-26)23(15-18-11-13-34-14-12-18)20-2-4-21(5-3-20)35(32,33)22-6-7-22/h1-5,8-10,17-18,22-23,29H,6-7,11-16H2,(H,30,31)동의어
SCHEMBL2896764YGCYHBLBMJNDPH-UHFFFAOYSA-N[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]acetic acid
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