Streptothricin; Streptothricin B, 4'-Decarbamoyl, 6'-carbamoyl

AlkaPlorer ID: AK314508

Synonym: Lavendothricin B, A 53930B, Antibiotic A 53930B, Isostreptothricin B

IUPAC Name: [5-[[3-amino-6-[[3-amino-6-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxy-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-2-yl]methyl carbamate

Structure

SMILES: NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(NC2=NC3C(=O)NCC(O)C3N2)OC(COC(N)=O)C(O)C1O

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InChI: InChI=1S/C43H82N16O12/c44-11-1-6-23(45)16-30(61)51-12-2-7-24(46)17-31(62)52-13-3-8-25(47)18-32(63)53-14-4-9-26(48)19-33(64)54-15-5-10-27(49)20-34(65)56-37-39(67)38(66)29(22-70-42(50)69)71-41(37)59-43-57-35-28(60)21-55-40(68)36(35)58-43/h23-29,35-39,41,60,66-67H,1-22,44-49H2,(H2,50,69)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,68)(H,56,65)(H2,57,58,59)

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InChIKey: IJDNLUQURNFBKI-UHFFFAOYSA-N

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Reference

PubChem CID: 74329760

CAS: 182697-76-3

COCONUT: CNP0362782.7

Properties Information

Molecule Weight: 1015.229

TPSA: 489.38

MolLogP: -7.298600000000008

Number of H-Donors: 18

Number of H-Acceptors: 21

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information