Sisomicin; N-De-Me, 6'-N-Me

AlkaPlorer ID: AK093911

Synonym: Antibiotic D 53, D 53

IUPAC Name: 4-amino-2-[4,6-diamino-3-[[3-amino-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol

Structure

SMILES: CNCC1=CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(N)C3O)C2O)O1

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InChI: InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)23)31-15-11(22)5-10(21)14(12(15)25)30-17-9(20)4-3-8(29-17)6-24-2/h3,9-18,24-27H,4-7,20-23H2,1-2H3

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InChIKey: HMECVJNOEGFUCY-UHFFFAOYSA-N

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Reference

PubChem CID: 162983304

COCONUT: CNP0255689

Properties Information

Molecule Weight: 447.5330000000002

TPSA: 213.72

MolLogP: -3.851499999999993

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information