(2S)-6-amino-2-[[(2S)-3-cyclohexyl-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic acid
Basic information
- CAS
12271-03-3- Standard SMILES
NCCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CCCCN)C(=O)O- InChIKey
FAEVHSYIPGKFKU-BZSNNMDCSA-N- Molecular formula
- C21H41N5O4
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.31585481
Names & identifiers
- Preferred name
- (2S)-6-amino-2-[[(2S)-3-cyclohexyl-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic acid
- IUPAC
- (2S)-6-amino-2-[[(2S)-3-cyclohexyl-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic acid
- English name
- C.I. Vat Blue 17
- Molecular formula
- C21H41N5O4
- Molecular weight
- 427.58134
Names & synonyms
12271-03-3(2S)-6-amino-2-[[(2S)-3-cyclohexyl-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic acidVAT BLACK 34FAEVHSYIPGKFKU-BZSNNMDCSA-N1b3h12271-05-5C.I. Vat Blue 17
Database identifiers
- CAS
12271-03-3、12271-05-5- PubChem CID
- 444447
- EC Number
- 602-883-3、602-884-9
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 526
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: C.I. Vat Black 34
Chemical: C.I. Vat Blue 17
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Compound notes
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