Protochelin

AlkaPlorer ID: AK311298

Synonym: None

IUPAC Name: N-[5-[(2,3-dihydroxybenzoyl)amino]-6-[4-[(2,3-dihydroxybenzoyl)amino]butylamino]-6-oxohexyl]-2,3-dihydroxybenzamide

Structure

SMILES: OC(=NCCCCN=C(O)C(CCCCN=C(O)C1=CC=CC(O)=C1O)N=C(O)C1=CC=CC(O)=C1O)C1=C(O)C(O)=CC=C1

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InChI: InChI=1S/C31H36N4O10/c36-22-12-5-8-18(25(22)39)28(42)32-15-2-1-11-21(35-30(44)20-10-7-14-24(38)27(20)41)31(45)34-17-4-3-16-33-29(43)19-9-6-13-23(37)26(19)40/h5-10,12-14,21,36-41H,1-4,11,15-17H2,(H,32,42)(H,33,43)(H,34,45)(H,35,44)

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InChIKey: FRTUVWLJPRMTFC-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 624.6470000000003

TPSA: 251.74

MolLogP: 4.510000000000008

Number of H-Donors: 10

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information