Muscoride A

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Basic information

Standard SMILES: C=CC(C)(C)NC(C(=O)N1CCCC1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C
InChIKey: PFXJYHPNSWNJBP-UHFFFAOYSA-N
Molecular formula: C28H40N4O5
Average molar mass: 512.6 g/mol
Monoisotopic mass: 512.29987039

Overview

Muscoride A is a valine derivative.

Names & identifiers

Preferred name: Muscoride A
IUPAC: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

Names & synonyms

Muscoride ADTXSID5010474763-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate3-methylbut-2-enyl 5-methyl-2-(5-methyl-2-(1-(3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl)pyrrolidin-2-yl)-1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylateRefChem:160187DTXCID101529092164672-63-3NSC688308CHEBI:222761[2,4'-Bioxazole]-4-carboxylic acid, 2'-[1-[2-[(1,1-dimethyl-2-propenyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-5,5'-dimethyl-, 3-methyl-2-butenyl ester3-methylbut-2-enyl 2-[2-[1-[2-(1,1-dimethylallylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-5-methyl-oxazol-4-yl]-5-methyl-oxazole-4-carboxylate

Database identifiers

PubChem CID: 496385
DTXSID: DTXSID501047476
ChEBI: CHEBI:222761

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 37
Formal charge: 0
Complexity: 856

Related reactions

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Compound notes

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