Butanamide, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-
Basic information
- CAS
123951-96-2- Standard SMILES
CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC)NC(=O)[C@@H](N)CC)C(N)=O- InChIKey
IGLJMYWKBQSKFQ-VMXHOPILSA-N- Molecular formula
- C25H39N7O7
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.29109661
Names & identifiers
- Preferred name
- Butanamide, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-aminobutanoyl]amino]butanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide
Names & synonyms
H-Abu-Abu-Asn-Tyr-Abu-NH2Butanamide, L-2-aminobutanoyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-123951-96-2H-alpha-Aminobutyric acid-alpha-Aminobutyric acid-Asn-Tyr-alpha-Aminobutyricacid-NH2DTXSID30154166H-.alpha.-Aminobutyric acid-.alpha.-Aminobutyric acid-Asn-Tyr-.alpha.-Aminobutyricacid-NH2H-.alpha.-Aminobutyric acid-.alpha.-Aminobutyric acid-Asn-Tyr-.alpha.-Aminobutyricacid-NH2; H-Abu-Abu-Asn-Tyr-Abu-NH2N~2~-{(2S)-2-[(2S)-2-Aminobutanamido]butanoyl}-L-asparaginyl-N-[(2S)-1-amino-1-oxobutan-2-yl]-L-tyrosinamide
Database identifiers
- CAS
123951-96-2- PubChem CID
- 452089
- DTXSID
DTXSID30154166
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 877
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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