Amonabactin T 789

AlkaPlorer ID: AK062651

Synonym: None

IUPAC Name: 2-[[2-[[2-amino-6-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Structure

SMILES: NC(CCCCN=C(O)CN=C(O)C1=CC=CC(O)=C1O)C(O)=NC(CCCCN=C(O)C1=CC=CC(O)=C1O)C(O)=NC(CC1=CNC2=CC=CC=C12)C(=O)O

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InChI: InChI=1S/C39H47N7O11/c40-26(12-3-5-17-41-32(49)21-44-36(53)25-11-8-16-31(48)34(25)51)37(54)45-28(14-4-6-18-42-35(52)24-10-7-15-30(47)33(24)50)38(55)46-29(39(56)57)19-22-20-43-27-13-2-1-9-23(22)27/h1-2,7-11,13,15-16,20,26,28-29,43,47-48,50-51H,3-6,12,14,17-19,21,40H2,(H,41,49)(H,42,52)(H,44,53)(H,45,54)(H,46,55)(H,56,57)

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InChIKey: YQBYSQJGPSBCIG-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 789.8430000000003

TPSA: 322.98

MolLogP: 4.901600000000003

Number of H-Donors: 12

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information