(Q82124379)

English

AC1LD8M2

group of stereoisomers with the chemical formula C₃₃H₅₃N₉O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

671.4118804160001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₃N₉O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CCCC(N=C(O)C1C2CCCC2CN1C(=O)C(N=C(O)C(N=C(O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C33H53N9O6/c1-6-10-23(29(44)32(47)34-21-15-16-21)35-31(46)28-22-12-9-11-20(22)17-42(28)33(48)27(19(4)5)37-30(45)26(18(2)3)36-25(43)14-8-7-13-24-38-40-41-39-24/h18-23,26-28H,6-17H2,1-5H3,(H,34,47)(H,35,46)(H,36,43)(H,37,45)(H,38,39,40,41)/t20-,22-,23?,26-,27-,28-/m0/s1

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InChIKey

JDKPACVVYSUOMU-QKEUQUPTSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID60300356

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(Q82124379)

AC1LD8M2

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