Albogrisin B′

AlkaPlorer ID: AK037712

Synonym: None

IUPAC Name: (4S)-4-[[(2R)-2-[(1R)-2-(2-aminophenyl)-1-methoxy-2-oxoethyl]-1,4-dimethyl-3-oxo-2H-pyrazine-6-carbonyl]amino]-7-methyl-5-oxooct-6-enoic acid

Structure

SMILES: CO[C@@H](C(=O)C1=CC=CC=C1N)[C@@H]1C(=O)N(C)C=C(C(O)=N[C@@H](CCC(=O)O)C(=O)C=C(C)C)N1C

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InChI: InChI=1S/C25H32N4O7/c1-14(2)12-19(30)17(10-11-20(31)32)27-24(34)18-13-28(3)25(35)21(29(18)4)23(36-5)22(33)15-8-6-7-9-16(15)26/h6-9,12-13,17,21,23H,10-11,26H2,1-5H3,(H,27,34)(H,31,32)/t17-,21+,23+/m0/s1

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InChIKey: GQBGVQRFWDUSTB-AMHTUMDSSA-N

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Properties Information

Molecule Weight: 500.5520000000003

TPSA: 162.82999999999998

MolLogP: 1.8055000000000003

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information