N-[(Hex-5-en-1-yl)(propan-2-yl)carbamoyl]-3-methyl-L-valine

HCID 59856486

Notes Reactions

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Basic information

CAS: 923591-49-5
Standard SMILES: C=CCCCCN(C(=O)N[C@H](C(=O)O)C(C)(C)C)C(C)C
InChIKey: KICVQIGTCMUBGB-CYBMUJFWSA-N
Molecular formula: C16H30N2O3
Average molar mass: 298.42 g/mol
Monoisotopic mass: 298.22564282

Names & identifiers

Preferred name: N-[(Hex-5-en-1-yl)(propan-2-yl)carbamoyl]-3-methyl-L-valine
IUPAC: (2S)-2-[[hex-5-enyl(propan-2-yl)carbamoyl]amino]-3,3-dimethylbutanoic acid

Names & synonyms

923591-49-5SCHEMBL733460DTXSID20733227KICVQIGTCMUBGB-CYBMUJFWSA-NN-[(Hex-5-en-1-yl)(propan-2-yl)carbamoyl]-3-methyl-L-valineN-{[Hex-5-en-1-yl(isopropyl)amino]carbonyl}-3-methyl-L-valine

Database identifiers

CAS: 923591-49-5
PubChem CID: 59856486
DTXSID: DTXSID20733227

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 69.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 359

Related reactions

2 records

New reaction record

HRID 1511590As productuspto-grants-2012_07

HRID 2377642As productuspto-grants-2008_12

Compound notes

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