(Q83024236)

English

S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

682.3108460520001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₆N₈O₉S

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canonical SMILES

COc1cc(NC(=O)C(N)CCCN)c(SCC(NC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)O)cc1C(=O)NC1CCN(C)CC1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)NC(=O)[C@H](CCCN)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

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Identifiers

InChI

InChI=1S/C29H46N8O9S/c1-37-10-7-16(8-11-37)34-26(42)17-12-23(20(13-22(17)46-2)35-27(43)18(31)4-3-9-30)47-15-21(29(45)33-14-25(40)41)36-28(44)19(32)5-6-24(38)39/h12-13,16,18-19,21H,3-11,14-15,30-32H2,1-2H3,(H,33,45)(H,34,42)(H,35,43)(H,36,44)(H,38,39)(H,40,41)/t18-,19-,21-/m0/s1

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InChIKey

MWWPXANGCUTKTQ-ZJOUEHCJSA-N

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1 reference

matched by identifier from

InChIKey

MWWPXANGCUTKTQ-ZJOUEHCJSA-N

1 reference

1 reference

matched by identifier from

InChIKey

MWWPXANGCUTKTQ-ZJOUEHCJSA-N

DSSTOX compound identifier

DTXCID7078696

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(Q83024236)

S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione

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