(Q104196203)

English

4-[[4-[[4-[[4-Amino-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoic acid

group of stereoisomers with the chemical formula C₄₆H₄₅N₇O₁₅

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instance of

group of stereoisomers

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subclass of

p-nitrophenyl polyketide

1 reference

inferred from

p-nitrophenyl polyketide

mass

935.2973637400003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₄₅N₇O₁₅

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canonical SMILES

COC(C(N)=O)C(NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3OC(C)C)c(O)c2OC(C)C)cc1

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Identifiers

InChI

InChI=1S/C46H45N7O15/c1-22(2)67-37-32(20-18-30(35(37)54)44(60)51-33-21-19-31(46(62)63)36(55)38(33)68-23(3)4)50-42(58)24-6-14-28(15-7-24)49-45(61)34(39(66-5)40(47)56)52-43(59)25-8-12-27(13-9-25)48-41(57)26-10-16-29(17-11-26)53(64)65/h6-23,34,39,54-55H,1-5H3,(H2,47,56)(H,48,57)(H,49,61)(H,50,58)(H,51,60)(H,52,59)(H,62,63)

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InChIKey

QUGQHCSHBGAXCK-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QUGQHCSHBGAXCK-UHFFFAOYSA-N

1 reference

(Q104196203)

4-[[4-[[4-[[4-Amino-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoic acid

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