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Basic information
- Standard SMILES
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CC3)c3ccccc3c2)CC1- InChIKey
AKGFUGJUVBBHIO-UIOOFZCWSA-N- Molecular formula
- C33H41N5O9
- Average molar mass
- 651.7 g/mol
Names & identifiers
- Preferred name
- 4-[(S)-4-Carboxy-2-({4-[2-((S)-2-cyclopropylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-naphthalene-2-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid ethyl ester
- IUPAC
- (4S)-4-[[4-[2-[(2S)-2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]naphthalene-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
Names & synonyms
SCHEMBL3333651AKGFUGJUVBBHIO-UIOOFZCWSA-N4-[(S)-4-Carboxy-2-({4-[2-((S)-2-cyclopropylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-naphthalene-2-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68601002
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
1 records
Compound notes
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