(Q82913223)

English

12,18-Dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3,6,9,12,15,18,21,22,23,23a-decahydro-19H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosin-19-one

chemical compound

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instance of

type of chemical entity

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subclass of

biogenic cyclopeptide

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mass

719.3642615280003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₉N₇O₈

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canonical SMILES

CC(C)CC1NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C(CO)NC1=O

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Identifiers

InChI

InChI=1S/C37H49N7O8/c1-22(2)17-26-34(49)43-29(21-45)35(50)41-27(18-24-11-6-4-7-12-24)33(48)39-23(3)32(47)42-28(19-25-13-8-5-9-14-25)37(52)44-16-10-15-30(44)36(51)38-20-31(46)40-26/h4-9,11-14,22-23,26-30,45H,10,15-21H2,1-3H3,(H,38,51)(H,39,48)(H,40,46)(H,41,50)(H,42,47)(H,43,49)

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InChIKey

VYIVDIARTLHCNH-UHFFFAOYSA-N

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

VYIVDIARTLHCNH-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VYIVDIARTLHCNH-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID701365606

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(Q82913223)

12,18-Dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3,6,9,12,15,18,21,22,23,23a-decahydro-19H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosin-19-one

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