Myomycin B

AlkaPlorer ID: AK307182

Synonym: None

IUPAC Name: [2,6-dicarbamoyloxy-3-[4-(diaminomethylideneamino)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxycyclohexyl] 3-amino-6-(3,6-diaminohexanoylamino)hexanoate

Structure

SMILES: N=C(N)NC1C(O)C(CO)OC(OC2C(O)C(O)C(OC(N)=O)C(OC(=O)CC(N)CCCNC(=O)CC(N)CCCN)C2OC(N)=O)C1O

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InChI: InChI=1S/C27H51N9O14/c28-5-1-3-10(29)7-13(38)35-6-2-4-11(30)8-14(39)47-22-21(49-26(33)44)19(43)18(42)20(23(22)50-27(34)45)48-24-17(41)15(36-25(31)32)16(40)12(9-37)46-24/h10-12,15-24,37,40-43H,1-9,28-30H2,(H2,33,44)(H2,34,45)(H,35,38)(H4,31,32,36)

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InChIKey: FWIWJTXEUZDJRI-UHFFFAOYSA-N

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Reference

PubChem CID: 78302562

COCONUT: CNP0213910.1

Properties Information

Molecule Weight: 725.7539999999999

TPSA: 419.6099999999999

MolLogP: -6.692630000000012

Number of H-Donors: 14

Number of H-Acceptors: 18

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information