(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid

HCID 6480225

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 359780-02-2
Standard SMILES: Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
InChIKey: UXBUYQULNOSYKV-SSEXGKCCSA-N
Molecular formula: C32H38N2O6S
Average molar mass: 578.7 g/mol
Monoisotopic mass: 578.24505811

Names & identifiers

Preferred name: (2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
IUPAC: (2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

Names & synonyms

Lysine derivative 12BDBM9859CHEMBL178605DTXSID201116232(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid359780-02-2(2R)-6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-[(4-methylbenzene)(2-methylpropyl)sulfonamido]hexanoic acidD-Lysine, N6-[(9H-fluoren-9-ylmethoxy)carbonyl]-N2-[(4-methylphenyl)sulfonyl]-N2-(2-methylpropyl)-N~6~-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(2-methylpropyl)-D-lysineN6-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N2-[(4-methylphenyl)sulfonyl]-N2-(2-methylpropyl)-D-lysine

Database identifiers

CAS: 359780-02-2
PubChem CID: 6480225
DTXSID: DTXSID201116232
ChEMBL: CHEMBL178605

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 121 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 14
Heavy atoms: 41
Formal charge: 0
Complexity: 936

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…