(Q82909134)

English

N-(2-{[{1-[N~2~-(2-Amino-1-hydroxy-3-methylpentylidene)arginyl]pyrrolidin-2-yl}(hydroxy)methylidene]amino}-1-hydroxy-3-methylbutylidene)-5-hydroxy-5-iminonorvaline

group of stereoisomers with the chemical formula C₂₇H₄₉N₉O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

611.375494908 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₉N₉O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(N)C(O)=NC(CCCNC(=N)N)C(=O)N1CCCC1C(O)=NC(C(O)=NC(CCC(=N)O)C(=O)O)C(C)C

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H49N9O7/c1-5-15(4)20(29)23(39)33-16(8-6-12-32-27(30)31)25(41)36-13-7-9-18(36)22(38)35-21(14(2)3)24(40)34-17(26(42)43)10-11-19(28)37/h14-18,20-21H,5-13,29H2,1-4H3,(H2,28,37)(H,33,39)(H,34,40)(H,35,38)(H,42,43)(H4,30,31,32)/t15?,16-,17-,18-,20-,21-/m0/s1

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InChIKey

JAFYOUPRYNYFED-QCDWPJGMSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID801361990

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(Q82909134)

N-(2-{[{1-[N~2~-(2-Amino-1-hydroxy-3-methylpentylidene)arginyl]pyrrolidin-2-yl}(hydroxy)methylidene]amino}-1-hydroxy-3-methylbutylidene)-5-hydroxy-5-iminonorvaline

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