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3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-{(2S)-4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-yl}propanamide

Catalog ID
STL550112
SMILES CSCC[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C32H37N3O8S MW 623.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O8S/c1-18-11-26(37)30(40)31(43-18)22(20-7-8-25(36)27(13-20)42-2)14-28(38)33-23(9-10-44-3)32(41)34-15-19-12-21(17-34)24-5-4-6-29(39)35(24)16-19/h4-8,11,13,19,21-23,36,40H,9-10,12,14-17H2,1-3H3,(H,33,38)/t19-,21+,22?,23+/m1/s1
InChIKey
WWOXLQAIMRSVBZ-IUHBEHMSSA-N
Synonyms

127253310
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N((2S)4(methylsulfanyl)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N((S)4(methylthio)1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)butan2yl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)((2~(S))4methylsulfanyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)butan2yl)propanamide
CSCC(C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O
InChI=1SC32H37N3O8Sc1181126(37)30(40)31(4318)22(207825(36)27(1320)422)1428(38)3323(910443)32(41)3415191221(1734)2454629(39)35(24)1619h4811131921233640H910121417H213H3(H3338)t1921+22?23+m1s1
ZINC000604406113
ZINC000604406116

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Available files

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