Resorcinomycin A
Basic information
- CAS
100234-70-6- Standard SMILES
CC(C)c1c(O)cc([C@H](N=C(N)N)C(=O)NCC(=O)O)cc1O- InChIKey
QMFJWJLPWNAZMH-LBPRGKRZSA-N- Molecular formula
- C14H20N4O5
- Average molar mass
- 324.33 g/mol
- Monoisotopic mass
- 324.14336975
Overview
Resorcinomycin A is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- Resorcinomycin A
- IUPAC
- 2-[[(2S)-2-(diaminomethylideneamino)-2-(3,5-dihydroxy-4-propan-2-ylphenyl)acetyl]amino]acetic acid
- English name
- resorcinomycin A
- Molecular formula
- C14H20N4O5
- Molecular weight
- 324.33
Names & synonyms
Resorcinomycin A100234-70-6N-(alpha-Guanidino-3,5-dihydroxy-4-isopropylphenylacetyl)glycine2-[[(2S)-2-(diaminomethylideneamino)-2-(3,5-dihydroxy-4-propan-2-ylphenyl)acetyl]amino]acetic acidGlycine, N-(N-(aminoiminomethyl)-L-2-(3,5-dihydroxy-4-(1-methylethyl)phenyl)glycyl)-2-(((2S)-2-(diaminomethylideneamino)-2-(3,5-dihydroxy-4-propan-2-ylphenyl)acetyl)amino)acetic acidRefChem:178943resorcinomycin2-[[(2S)-2-(3,5-dihydroxy-4-isopropyl-phenyl)-2-guanidino-acetyl]amino]acetic acidS-Resorcinomycin ASCHEMBL770282orb3024556
Show more names
Antibiotic DO-248AN-(Aminoiminomethyl)-N-[3,5-dihydroxy-4-(1-methylethyl)phenyl]Gly-Gly-OH
DTXSID00905283CHEBI:221915HY-N14589TN10365NS00011782(S)-2-(2-(3,5-Dihydroxy-4-isopropylphenyl)-2-guanidinoacetamido)acetic acidN-{2-Carbamimidamido-2-[3,5-dihydroxy-4-(propan-2-yl)phenyl]-1-hydroxyethylidene}glycineN-{(2S)-2-(Carbamimidoylamino)-2-[3,5-dihydroxy-4-(propan-2-yl)phenyl]-1-hydroxyethylidene}glycine
Database identifiers
- CAS
100234-70-6- PubChem CID
- 72447
- DTXSID
DTXSID00905283- ChEBI
CHEBI:221915- Nikkaji
- J248.155C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Density
- 1.494 · 1.494±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.171 · 3.171±0.10(predicted)
Chemistry & industry
Applications
DescriptionResorcinomycin A is from streptoverticillium roseoverticillatum.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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