(E)-L-N-(3-(3-Carbamoylacrylamido)alanyl)alanine
Basic information
- CAS
36051-75-9- Standard SMILES
CC(NC(=O)C(N)CNC(=O)/C=C/C(N)=O)C(=O)O- InChIKey
XMSWOFBDXIPAAF-NSCUHMNNSA-N- Molecular formula
- C10H16N4O5
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.11206962
Names & identifiers
- Preferred name
- (E)-L-N-(3-(3-Carbamoylacrylamido)alanyl)alanine
- IUPAC
- 2-[[2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic acid
Names & synonyms
Antibiotic A-19009(E)-L-N-(3-(3-Carbamoylacrylamido)alanyl)alanine36051-75-9Fumarylcarboxamido-L-2,3-diaminopropionyl-L-alanineALANINE, N-(3-(3-CARBAMOYLACRYLAMIDO)ALANYL)-, (E)-L-
Database identifiers
- CAS
36051-75-9- PubChem CID
- 6434201
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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