(Q83002581)

English

5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[1-(2-hydroxy-3-methoxypropyl)-2-imino-2,3-dihydro-1H-imidazol-4-yl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline

group of stereoisomers with the chemical formula C₁₇H₂₈N₆O₈S

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

476.16893285599997 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₈N₆O₈S

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based on heuristic

inferred from SMILES

canonical SMILES

COCC(O)Cn1cc(SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O)[nH]c1=N

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COCC(O)Cn1cc(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[nH]c1=N

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C17H28N6O8S/c1-31-7-9(24)5-23-6-13(22-17(23)19)32-8-11(15(28)20-4-14(26)27)21-12(25)3-2-10(18)16(29)30/h6,9-11,24H,2-5,7-8,18H2,1H3,(H2,19,22)(H,20,28)(H,21,25)(H,26,27)(H,29,30)/t9?,10-,11-/m0/s1

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InChIKey

YTANSWIJQWDJMX-DVRYWGNFSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101433627

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(Q83002581)

5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[1-(2-hydroxy-3-methoxypropyl)-2-imino-2,3-dihydro-1H-imidazol-4-yl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline

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Identifiers

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