(7S,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-hexahydropyrazino[1,2-a]piperazine-2-carboxamide

AlkaPlorer ID: AK167351

Synonym: None

IUPAC Name: (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

Structure

SMILES: COC1=CC=CC(NC(=O)N2CCN3C(=O)[C@@H](C)NC(=O)[C@@H]3C2)=C1

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InChI: InChI=1S/C16H20N4O4/c1-10-15(22)20-7-6-19(9-13(20)14(21)17-10)16(23)18-11-4-3-5-12(8-11)24-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,17,21)(H,18,23)/t10-,13+/m1/s1

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InChIKey: FRNFTSKYUXBWPR-MFKMUULPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 332.36

TPSA: 90.98

MolLogP: 0.2582000000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information