Antibiotic PB 5582A

AlkaPlorer ID: AK288588

Synonym: PB 5582A, SQ 28332, Antibiotic SQ 28332

IUPAC Name: 3-[2-[[3-carbamoyloxy-2-[[2-(2,3-dihydroxypropanoylamino)acetyl]-methylamino]propanoyl]amino]propanoylamino]-2-oxoazetidine-1-sulfonic acid

Structure

SMILES: CC(N=C(O)C(COC(=N)O)N(C)C(=O)CN=C(O)C(O)CO)C(O)=NC1CN(S(=O)(=O)O)C1=O

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InChI: InChI=1S/C16H26N6O12S/c1-7(12(26)20-8-4-22(15(8)29)35(31,32)33)19-13(27)9(6-34-16(17)30)21(2)11(25)3-18-14(28)10(24)5-23/h7-10,23-24H,3-6H2,1-2H3,(H2,17,30)(H,18,28)(H,19,27)(H,20,26)(H,31,32,33)

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InChIKey: GTXBTYYDTKUACJ-UHFFFAOYSA-N

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Reference

PubChem CID: 174679

COCONUT: CNP0295093.1

Properties Information

Molecule Weight: 526.4810000000002

TPSA: 286.53

MolLogP: -3.052429999999993

Number of H-Donors: 8

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information