Basic information
- Standard SMILES
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)NCCN)[C@@H](CCC(=O)O)[C@@H]3C- InChIKey
DXKMNNMNVODHQH-RDPSFJRHSA-N- Molecular formula
- C37H44N6O5
- Average molar mass
- 652.8 g/mol
Names & identifiers
- Preferred name
- 3-[(2S,3S)-18-(2-aminoethylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
- IUPAC
- 3-[(2S,3S)-18-(2-aminoethylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
Names & synonyms
3-[(2S,3S)-18-(2-aminoethylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acidDXKMNNMNVODHQH-RDPSFJRHSA-N
Database identifiers
- PubChem CID
- 5489420
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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