2-[[2-[4-[2-[(2,5-dioxo-3-phenylmethoxycarbonylamino-pyrrolidin-1-yl)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C45H42N2O9S
InChI: InChI=1/C45H42N2O9S/c1-28-38(27-57-39-14-8-7-13-36(39)43(51)52)55-44(56-41(28)32-17-15-29(25-48)16-18-32)33-21-19-31(20-22-33)35-12-6-5-11-34(35)24-47-40(49)23-37(42(47)50)46-45(53)54-26-30-9-3-2-4-10-30/h2-22,28,37-38,41,44,48H,23-27H2,1H3,(H,46,53)(H,51,52)/f/h46,51H
InChIKey: InChIKey=IXMVBQQUNVDZEN-VEUXROCICC
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=CC=CC=C7C(=O)O
Names:
2-[[2-[4-[2-[(2,5-dioxo-3-phenylmethoxycarbonylamino-pyrrolidin-1-yl)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 4116232
PubChem ID 6043810
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