(Q105277560)

English

[(1R)-1-[3-[(2S,3'R,3aR,4R)-2-methyl-1,2'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

quinazoline alkaloid

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mass

516.200884616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S)-1-[3-[(2S,3'R,3aR,4S)-2-methyl-1,2'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₈N₄O₆

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canonical SMILES

O=C(OC(C1=NC=2C=CC=CC2C(=O)N1C3C(=O)OC4(C=5C=CC=CC5N6C(=O)C(NC64)C)C3)C(C)C)C

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isomeric SMILES

CC(=O)O[C@@H](c1nc2ccccc2c(=O)n1[C@@H]1C[C@@]2(OC1=O)c1ccccc1N1C(=O)[C@H](C)N[C@H]12)C(C)C

0 references

1 reference

Identifiers

InChI

InChI=1S/C28H28N4O6/c1-14(2)22(37-16(4)33)23-30-19-11-7-5-9-17(19)25(35)31(23)21-13-28(38-26(21)36)18-10-6-8-12-20(18)32-24(34)15(3)29-27(28)32/h5-12,14-15,21-22,27,29H,13H2,1-4H3/t15-,21+,22+,27+,28+/m0/s1

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InChIKey

UQWRSTHNSHDTCA-IYFCXOPHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UQWRSTHNSHDTCA-IYFCXOPHSA-N

1 reference

(Q105277560)

[(1R)-1-[3-[(2S,3'R,3aR,4R)-2-methyl-1,2'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate

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