Benzylsulfonylserylglycine amidinobenzamide
Basic information
- CAS
380237-57-0- Standard SMILES
N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1- InChIKey
MIDRZAUOYQDRRT-QGZVFWFLSA-N- Molecular formula
- C20H25N5O5S
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.15764009
Names & identifiers
- Preferred name
- Benzylsulfonylserylglycine amidinobenzamide
- IUPAC
- (2R)-2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxypropanamide
Names & synonyms
Benzylsulfonylserylglycine amidinobenzamideUNII-28BBA7Q6U3CJ 435CJ-43528BBA7Q6U3CHEMBL158936380237-57-0N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDEGlycinamide, N-((phenylmethyl)sulfonyl)-D-seryl-N-((4-(aminoiminomethyl)phenyl)methyl)-1sc82INSCHEMBL8346530
Show more names
BDBM50110015US8476306, 6.1US8476306, 6.2Q27254298N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)glycinamideN-[(4-Carbamimidoyl-benzylcarbamoyl)-methyl]-3-hydroxy-2-phenylmethanesulfonylamino-propionamide
Database identifiers
- CAS
380237-57-0- PubChem CID
- 448548
- ChEMBL
CHEMBL158936- UNII
- 28BBA7Q6U3
- Nikkaji
- J1.702.070F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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