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3-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-N-ethyl-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]benzamide

Catalog ID
STL550620
SMILES CCNC(=O)c1ccc(c(c1)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C38H38N4O8 MW 678.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38N4O8/c1-6-39-37(49)22-10-11-26(41-15-21-12-23(17-41)25-8-7-9-29(45)42(25)16-21)24(13-22)40-19(3)30-27(44)14-28-38(5,36(30)48)32-34(47)18(2)33(46)31(20(4)43)35(32)50-28/h7-11,13-14,21,23,40,46-47H,6,12,15-17H2,1-5H3,(H,39,49)/b30-19+/t21-,23
InChIKey
OCJSGCNWPMBJRJ-PLGPRPLASA-N
Synonyms

132351965
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)ethyl4((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)benzamide
3(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)Nethyl4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)benzamide
3(((E)1((R)6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)Nethyl4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)benzamide
AZOCIN3(4H)YL)BENZAMIDE
CCNC(=O)c1ccc(c(c1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC38H38N4O8c163937(49)22101126(4115211223(1741)2587929(45)42(25)1621)24(1322)4019(3)3027(44)142838(536(30)48)3234(47)18(2)33(46)31(20(4)43)35(32)5028h71113142123404647H6121517H215H3(H3949)b3019+t2123+38+m1s1
ZINC000823128425

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Available files

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