N-Methyl-valyl-amiclenomycin
Basic information
- CAS
96717-69-0- Standard SMILES
CN[C@](N)(C(=O)CCCC(=O)O)C(C)CC1C=CC(N)C=C1- InChIKey
IYJXSJJCXYNKBU-NPQGJGQUSA-N- Molecular formula
- C16H27N3O3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.20524173
Overview
N-methyl-valyl-amiclenomycin has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- N-Methyl-valyl-amiclenomycin
- IUPAC
- (6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
- English name
- N-methyl-valyl-amiclenomycin
- Molecular formula
- C16H27N3O3
- Molecular weight
- 309.41
Names & synonyms
N-methyl-valyl-amiclenomycin96717-69-0(6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acidRefChem:163781MSD 235S2BA 2DTXSID70914382L-2-Amino-4-(4-amino-2,5-cyclohexadien-1-yl)-N-methyl-L-valylbutanoic acidButanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-N-methyl-L-valyl-Butanoic acid, N-methyl-L-valyl-gamma-(4-amino-2,5-cyclohexadien-1-yl)-L-alpha-amino-6-Amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acidMSD-235S2
Show more names
Reaxys ID: 2159720N-Methyl-L-Val-4-(4-amino-2,5-cyclohexadienyl)-L-Abu-OHButanoic acid, N-methyl-L-valyl-4-(4-amino-2,5-cyclohexadien-1-yl)-L-2-amino- (9CI)
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 522.3 · 522.3±50.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- pka
- 3.12 · 3.12±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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