APA-Orn-DNS
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Basic information
- CAS
83966-27-2- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)NCCC[C@H](NC(=O)c3ccc(N(C)Cc4cnc5nc(N)nc(N)c5n4)cc3)C(=O)O)cccc12- InChIKey
SJVMDYMKTVEZEE-DEOSSOPVSA-N- Molecular formula
- C32H36N10O5S
- Average molar mass
- 672.8 g/mol
- Monoisotopic mass
- 672.25908546
Overview
N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine is a member of naphthalenes and a sulfonic acid derivative.
Names & identifiers
- Preferred name
- APA-Orn-DNS
- IUPAC
- (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid
- English name
- N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine
- Molecular formula
- C32H36N10O5S
- Molecular weight
- 672.75724
Names & synonyms
Apa-orn-dns83966-27-2N-alpha-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithineRefChem:916027CHEBI:192444DTXSID101004202(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulonylamino]pentanoic acidL-Ornithine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N5-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-N~2~-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-N~5~-[5-(dimethylamino)naphthalene-1-sulfonyl]-L-ornithineN~2~-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-N~5~-[5-(dimethylamino)naphthalene-1-sulfonyl]ornithine
Database identifiers
- CAS
83966-27-2- PubChem CID
- 134387
- DTXSID
DTXSID101004202- ChEBI
CHEBI:192444
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,180
Chemistry & industry
Additional notes
DefinitionChEBI: N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine is a sulfonic acid derivative and a member of naphthalenes.
Related reactions
0 records
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Compound notes
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