(Q105100333)

English

2-[4-[(2S)-2-(carboxyamino)-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-N-oxaloanilino]benzoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

637.190773432 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₁N₃O₁₂

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canonical SMILES

COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(=O)O

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isomeric SMILES

COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)NC(=O)O

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found in taxon

Artemisia annua

1 reference

stated in

Inhibitory effects of docosyl p-coumarate on DNA topoisomerase activity and human cancer cell growth

Aspergillus

1 reference

stated in

Microbial metabolism of methyl protodioscin by Aspergillus niger culture--a new androstenedione producing way from steroid

Elephantopus mollis

1 reference

stated in

Cytotoxic triterpene and sesquiterpene lactones from Elephantopus mollis and induction of apoptosis in neuroblastoma cells

Euphorbia fischeriana

1 reference

stated in

Diterpenoids from the roots of Euphorbia fischeriana

Sinularia scabra

1 reference

stated in

Scabrolides A-D, four new norditerpenoids isolated from the soft coral Sinularia scabra.

Stelletta

1 reference

stated in

New lysophosphatidylcholines and monoglycerides from the marine sponge Stelletta sp

Identifiers

InChI

InChI=1S/C31H31N3O12/c1-45-30(42)25-23(35)9-6-10-24(25)46-16-5-4-15-32-26(36)21(33-31(43)44)17-18-11-13-19(14-12-18)34(27(37)29(40)41)22-8-3-2-7-20(22)28(38)39/h2-3,6-14,21,33,35H,4-5,15-17H2,1H3,(H,32,36)(H,38,39)(H,40,41)(H,43,44)/t21-/m0/s1

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InChIKey

AYMZSPOIUVLDRK-NRFANRHFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AYMZSPOIUVLDRK-NRFANRHFSA-N

1 reference

(Q105100333)

2-[4-[(2S)-2-(carboxyamino)-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-N-oxaloanilino]benzoic acid

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