3-(2-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopentyl}acetamido)-2-methylbutanoic acid

HCID 165367487

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Basic information

CAS: 2171810-00-5
Standard SMILES: CC(NC(=O)CC1CCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C(=O)O
InChIKey: IRMJGRHDCBJAMO-UHFFFAOYSA-N
Molecular formula: C28H34N2O5
Average molar mass: 478.6 g/mol
Monoisotopic mass: 478.24677219

Names & identifiers

Preferred name: 3-(2-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopentyl}acetamido)-2-methylbutanoic acid
IUPAC: 3-[[2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentyl]acetyl]amino]-2-methylbutanoic acid

Names & synonyms

2171810-00-53-(2-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopentyl}acetamido)-2-methylbutanoic acidDTXSID401109243EN300-1570150Butanoic acid, 3-[[2-[3-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]cyclopentyl]acetyl]amino]-2-methyl-

Database identifiers

CAS: 2171810-00-5
PubChem CID: 165367487
DTXSID: DTXSID401109243

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 105 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 35
Formal charge: 0
Complexity: 736

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