Basic information
- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)NC(CCCNC(=O)OCc3ccccc3)C(=O)O)cccc12- InChIKey
MERUEDYBURSUFL-UHFFFAOYSA-N- Molecular formula
- C25H29N3O6S
- Average molar mass
- 499.6 g/mol
Names & identifiers
- Preferred name
- 2-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]-5-[[(phenylmethoxy)carbonyl]amino]pentanoic acid
- IUPAC
- 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid
Names & synonyms
SCHEMBL7441636MERUEDYBURSUFL-UHFFFAOYSA-N2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-5-[[(phenylmethoxy)carbonyl]amino]pentanoic acid
Database identifiers
- PubChem CID
- 19793149
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 794
Related reactions
4 records
Compound notes
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