(Q113958705)

English

4-[[4-[[4-[[(2S,3S)-3-carboxy-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

920.286464708 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₄₆H₄₄N₆O₁₅

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canonical SMILES

O=C(O)C1=CC=C(NC(=O)C2=CC=C(NC(=O)C3=CC=C(C=C3)NC(=O)C(NC(=O)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(OC)C(=O)O)C(OC(C)C)=C2O)C(OC(C)C)=C1

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isomeric SMILES

CO[C@H](C(=O)O)[C@H](NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3OC(C)C)c(O)c2OC(C)C)cc1

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found in taxon

Corallococcus coralloides

1 reference

stated in

Isolation of Coralmycins A and B, Potent Anti-Gram Negative Compounds from the Myxobacteria Corallococcus coralloides M23.

Identifiers

InChI

InChI=1S/C46H44N6O15/c1-23(2)66-35-22-28(45(59)60)12-20-33(35)49-43(57)32-19-21-34(38(37(32)53)67-24(3)4)50-41(55)25-6-15-30(16-7-25)48-44(58)36(39(65-5)46(61)62)51-42(56)26-8-13-29(14-9-26)47-40(54)27-10-17-31(18-11-27)52(63)64/h6-24,36,39,53H,1-5H3,(H,47,54)(H,48,58)(H,49,57)(H,50,55)(H,51,56)(H,59,60)(H,61,62)/t36-,39-/m0/s1

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InChIKey

COERGQLNLZNYLZ-VQIIKMDRSA-N

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

205777

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C46H44N6O15/c1-23(2)66-35-22-28(45(59)60)12-20-33(35)49-43(57)32-19-21-34(38(37(32)53)67-24(3)4)50-41(55)25-6-15-30(16-7-25)48-44(58)36(39(65-5)46(61)62)51-42(56)26-8-13-29(14-9-26)47-40(54)27-10-17-31(18-11-27)52(63)64/h6-24,36,39,53H,1-5H3,(H,47,54)(H,48,58)(H,49,57)(H,50,55)(H,51,56)(H,59,60)(H,61,62)/t36-,39-/m0/s1

1 reference

Natural Product Atlas ID

NPA022030

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

COERGQLNLZNYLZ-VQIIKMDRSA-N

(Q113958705)

4-[[4-[[4-[[(2S,3S)-3-carboxy-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid

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Identifiers

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