Muraminomicin H

AlkaPlorer ID: AK007838

Synonym: None

IUPAC Name: 2-[[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-6-[3-[5-[(2S,3R,4R,5S,6S)-4-(3-carboxypropanoyloxy)-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3-methyl-5-oxopentanoyl]oxytetradecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid

Structure

SMILES: CCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(O[C@H]2C[C@H](O)[C@@H](CN)O2)[C@H]2O[C@@H](N3C=CC(=O)NC3=O)C[C@@H]2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC(=O)CCC(=O)O)[C@H]1OC

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InChI: InChI=1S/C54H85N5O23/c1-8-9-10-11-12-13-14-15-16-17-31(76-40(66)22-29(2)23-41(67)81-53-50(74-7)49(46(73-6)30(3)75-53)80-39(65)19-18-38(63)64)24-42(68)77-35-28-57(4)45(51(69)58(5)44(35)52(70)71)48(82-43-26-32(60)34(27-55)78-43)47-33(61)25-37(79-47)59-21-20-36(62)56-54(59)72/h20-21,29-35,37,43-50,53,60-61H,8-19,22-28,55H2,1-7H3,(H,63,64)(H,70,71)(H,56,62,72)/t29?,30-,31?,32-,33-,34+,35?,37+,43-,44?,45?,46-,47-,48?,49+,50+,53-/m0/s1

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InChIKey: QLHNPXCYNWFUCR-SZIAXAPBSA-N

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Properties Information

Molecule Weight: 1172.286

TPSA: 380.0700000000001

MolLogP: 0.8759000000000057

Number of H-Donors: 6

Number of H-Acceptors: 24

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information