Albogrisin A

AlkaPlorer ID: AK037703

Synonym: None

IUPAC Name: (4S)-7-methyl-4-[[4-methyl-2-(methylamino)-3-oxobenzo[f][1,7]naphthyridine-5-carbonyl]amino]-5-oxooct-6-enoic acid

Structure

SMILES: CNC1=CC2=C3C=CC=CC3=NC(C(O)=N[C@@H](CCC(=O)O)C(=O)C=C(C)C)=C2N(C)C1=O

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InChI: InChI=1S/C24H26N4O5/c1-13(2)11-19(29)17(9-10-20(30)31)27-23(32)21-22-15(12-18(25-3)24(33)28(22)4)14-7-5-6-8-16(14)26-21/h5-8,11-12,17,25H,9-10H2,1-4H3,(H,27,32)(H,30,31)/t17-/m0/s1

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InChIKey: DEXXGFHNRNTYAB-KRWDZBQOSA-N

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Properties Information

Molecule Weight: 450.4950000000002

TPSA: 133.88000000000002

MolLogP: 3.201700000000001

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information