Basic information
- CAS
2807-73-0- Standard SMILES
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(N)=O- InChIKey
STWYAZLQBVUYRF-UHFFFAOYSA-N- Molecular formula
- C16H31N3O4S
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.20352765
Names & identifiers
- Preferred name
- tert-butyl N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
- IUPAC
- tert-butyl N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
2807-73-0NSC333439tert-butyl N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamateDTXSID10318623NSC-333439DS-007433N-(tert-Butoxycarbonyl)isoleucylmethioninamideCarbamic acid,[1-[[1-carbamoyl-3-(methylthio)propyl]carbamoyl]-2-methylbutyl]-, tert-butylester (7ci,8ci)
Database identifiers
- CAS
2807-73-0- PubChem CID
- 333205
- DTXSID
DTXSID10318623
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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