Basic information
- Standard SMILES
CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)N(C)c1nnnn1Cc1ccc(OC)cc1- InChIKey
OBKQRPZOFASEMA-DCFHFQCYSA-N- Molecular formula
- C30H33ClN6O4
- Average molar mass
- 577.1 g/mol
Names & identifiers
- Preferred name
- (S)-2-((S)-2-(3'-chloro-biphenyl-4-yl)-1-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl-carbamoyl}ethylamino)-propionic acid ethyl ester
- IUPAC
- ethyl (2S)-2-[[(2S)-3-[4-(3-chlorophenyl)phenyl]-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-methylamino]-1-oxopropan-2-yl]amino]propanoate
Names & synonyms
SCHEMBL1768198OBKQRPZOFASEMA-DCFHFQCYSA-N(S)-2-((S)-2-(3'-chloro-biphenyl-4-yl)-1-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl-carbamoyl}-ethylamino)-propionic acid ethyl ester(S)-2-((S)-2-(3'-chloro-biphenyl-4-yl)-1-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl-carbamoyl}ethylamino)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 58280554
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 823
Related reactions
7 records
Compound notes
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