3-[8-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-yl]propanoic acid
AlkaPlorer ID: AK368972
Synonym: None
IUPAC Name: 3-[8-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-yl]propanoic acid
Structure
SMILES: COC1=CC(SC)=CC=C1C(=O)NC1CCN2C(=O)C(CCC(=O)O)NC(=O)C2C1
InChI: InChI=1S/C20H25N3O6S/c1-29-16-10-12(30-2)3-4-13(16)18(26)21-11-7-8-23-15(9-11)19(27)22-14(20(23)28)5-6-17(24)25/h3-4,10-11,14-15H,5-9H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)
InChIKey: DQBMZIOMHKOLLH-UHFFFAOYSA-N
Reference
Marine natural products: metabolites of marine algae and herbivorous marine molluscs
PubChem CID: 3770600
COCONUT: CNP0443246.1
Source
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Properties Information
Molecule Weight: 435.5020000000002
TPSA？: 125.04000000000002
MolLogP？: 0.8697000000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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