Not named

AlkaPlorer ID: AK042326

Synonym: '', 'Antibiotic 1100-50'

IUPAC Name: N-(2-amino-2-oxoethyl)-[(1S,4R,5R)-2-[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]oxy-N-[hydroxy-(12-methyltridecylamino)oxyphosphoryl]phosphonamidic acid

Structure

SMILES: CC(C)CCCCCCCCCCCNOP(=O)(O)N(CC(=N)O)P(=O)(O)O[C@@H]1C(OC[C@@H]2O[C@@H](N3C=CC(=N)N=C3O)[C@H](O)[C@@H]2O)=C(CO)[C@@H](O)[C@H]1O

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InChI: InChI=1S/C31H56N6O15P2/c1-19(2)12-10-8-6-4-3-5-7-9-11-14-34-52-54(47,48)37(16-23(33)39)53(45,46)51-29-26(42)24(40)20(17-38)28(29)49-18-21-25(41)27(43)30(50-21)36-15-13-22(32)35-31(36)44/h13,15,19,21,24-27,29-30,34,38,40-43H,3-12,14,16-18H2,1-2H3,(H2,33,39)(H,45,46)(H,47,48)(H2,32,35,44)/t21-,24+,25+,26+,27+,29-,30+/m0/s1

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InChIKey: ZGMYPWZCTZCWMY-CZJHRIMHSA-N

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Properties Information

Molecule Weight: 814.7640000000004

TPSA: 333.92

MolLogP: 1.187240000000001

Number of H-Donors: 12

Number of H-Acceptors: 17

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information