(Q82124378)

English

AC1LD8LZ

group of stereoisomers with the chemical formula C₃₉H₅₆N₁₀O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

824.418087992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₆N₁₀O₁₀

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCC(N=C(O)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(=O)C(N=C(O)C(N=C(O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC(NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C39H56N10O10/c1-6-11-27(34(53)37(56)40-19-31(51)52)41-35(54)28-18-26(59-39(58)48-17-16-24-12-7-8-13-25(24)20-48)21-49(28)38(57)33(23(4)5)43-36(55)32(22(2)3)42-30(50)15-10-9-14-29-44-46-47-45-29/h7-8,12-13,22-23,26-28,32-33H,6,9-11,14-21H2,1-5H3,(H,40,56)(H,41,54)(H,42,50)(H,43,55)(H,51,52)(H,44,45,46,47)/t26-,27?,28+,32+,33+/m1/s1

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InChIKey

UIXVWAPGLNFNPQ-UFQQGOQLSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID00300355

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(Q82124378)

AC1LD8LZ

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Identifiers

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