Basic information
- CAS
162739-45-9- Standard SMILES
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)NN(Cc2ccc(O)cc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1- InChIKey
KZUXUIQZZFLKPS-CPCREDONSA-N- Molecular formula
- C36H47N7O6S2
- Average molar mass
- 737.9 g/mol
- Monoisotopic mass
- 737.30292459
Names & identifiers
- Preferred name
- 5S-(((5-Thiazolyl)methoxy)carbonyl)amino-2-N-(((N-methyl-N-(2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valinyl-amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane
- IUPAC
- 1,3-thiazol-5-ylmethyl N-[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-1-phenylbutan-2-yl]carbamate
Names & synonyms
162739-45-95S-(((5-Thiazolyl)methoxy)carbonyl)amino-2-N-(((N-methyl-N-(2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valinyl-amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexaneDTXSID90167459(1,3-Thiazol-5-yl)methyl [(2S,3S)-3-hydroxy-4-(1-[(4-hydroxyphenyl)methyl]-2-{(2S)-3-methyl-2-[(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)amino]butanoyl}hydrazin-1-yl)-1-phenylbutan-2-yl]carbamatethiazol-5-ylmethyl N-[(1S,2S)-1-benzyl-2-hydroxy-3-[(4-hydroxyphenyl)methyl-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]amino]propyl]carbamate
Database identifiers
- CAS
162739-45-9- PubChem CID
- 475595
- DTXSID
DTXSID90167459
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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