Glycine, N-(S-(5,6-dihydro-6-hydroxydibenz(a,h)anthracen-5-yl)-N-L-gamma-glutamyl-L-cysteinyl)-
Basic information
- CAS
4626-98-6- Standard SMILES
NC(=O)CC[C@H](NC(CSC1c2ccccc2-c2cc3ccc4ccccc4c3cc2C1O)C(=O)NCC(=O)O)C(=O)O- InChIKey
RBNJOPDDQAFHGK-VBUCQZHJSA-N- Molecular formula
- C32H31N3O7S
- Average molar mass
- 601.7 g/mol
- Monoisotopic mass
- 601.18827151
Names & identifiers
- Preferred name
- Glycine, N-(S-(5,6-dihydro-6-hydroxydibenz(a,h)anthracen-5-yl)-N-L-gamma-glutamyl-L-cysteinyl)-
- IUPAC
- (2S)-5-amino-2-[[1-(carboxymethylamino)-3-[(6-hydroxy-5,6-dihydronaphtho[1,2-b]phenanthren-5-yl)sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
4626-98-6Glycine, N-(S-(5,6-dihydro-6-hydroxydibenz(a,h)anthracen-5-yl)-N-L-gamma-glutamyl-L-cysteinyl)-Glutamine, N-(1-((carboxymethyl)carbamoyl)-2-((5,6-dihydro-6-hydroxydibenz(a,h)anthracen-5-yl)thio)ethyl)-DTXSID30963533N-{1-[(Carboxymethyl)imino]-1-hydroxy-3-[(6-hydroxy-5,6-dihydrobenzo[k]tetraphen-5-yl)sulfanyl]propan-2-yl}-5-hydroxy-5-imino-L-norvalineN-{1-[(Carboxymethyl)imino]-1-hydroxy-3-[(6-hydroxy-5,6-dihydrobenzo[k]tetraphen-5-yl)sulfanyl]propan-2-yl}-5-hydroxy-5-iminonorvaline
Database identifiers
- CAS
4626-98-6- PubChem CID
- 6452050
- DTXSID
DTXSID30963533
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,030
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