Glycine, N-(S-(5,6-dihydro-6-hydroxybenz(a)anthracen-5-yl)-N-L-gamma-glutamyl-L-cysteinyl)-, (5R-trans)-
Basic information
- CAS
82534-96-1- Standard SMILES
NC(CCC(=O)NC(CSC1c2ccccc2-c2cc3ccccc3cc2C1O)C(=O)NCC(=O)O)C(=O)O- InChIKey
GYWRRMKQSUWJEB-UHFFFAOYSA-N- Molecular formula
- C28H29N3O7S
- Average molar mass
- 551.6 g/mol
- Monoisotopic mass
- 551.17262145
Names & identifiers
- Preferred name
- Glycine, N-(S-(5,6-dihydro-6-hydroxybenz(a)anthracen-5-yl)-N-L-gamma-glutamyl-L-cysteinyl)-, (5R-trans)-
- IUPAC
- 2-amino-5-[[1-(carboxymethylamino)-3-[(6-hydroxy-5,6-dihydrobenzo[a]anthracen-5-yl)sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
82534-96-1Glycine, N-(S-(5,6-dihydro-6-hydroxybenz(a)anthracen-5-yl)-N-L-gamma-glutamyl-L-cysteinyl)-, (5R-trans)-DTXSID80100276482534-98-3Glycine, N-(S-(5,6-dihydro-6-hydroxybenz(a)anthracen-5-yl)-N-L-gamma-glutamyl-L-cysteinyl)-, (5S-trans)-5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(6-hydroxy-5,6-dihydrotetraphen-5-yl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvaline
Database identifiers
- CAS
82534-96-1、82534-98-3- PubChem CID
- 186261
- DTXSID
DTXSID801002764
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 904
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Compound notes
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