Microvionin

AlkaPlorer ID: AK327101

Synonym: None

IUPAC Name: N-[1-[[(20Z)-14-(3-amino-3-oxopropyl)-17-(hydroxymethyl)-6-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-22-thia-1,4,7,13,16,19-hexazaspiro[10.12]tricos-20-en-9-yl]amino]-1-oxopropan-2-yl]-15-[(N,N'-dimethylcarbamimidoyl)amino]pentadecanamide

Structure

SMILES: CN=C(NC)NCCCCCCCCCCCCCCC(O)=NC(C)C(O)=NC1CC2(CS/C=C\N=C(O)C(CO)N=C(O)C(CCC(=N)O)N=C2O)N=C(O)CN=C(O)C(CC(C)C)N=C1O

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InChI: InChI=1S/C45H78N12O10S/c1-29(2)24-32-39(63)51-26-37(61)57-45(28-68-23-22-49-40(64)34(27-58)55-41(65)31(56-43(45)67)19-20-35(46)59)25-33(42(66)53-32)54-38(62)30(3)52-36(60)18-16-14-12-10-8-6-7-9-11-13-15-17-21-50-44(47-4)48-5/h22-23,29-34,58H,6-21,24-28H2,1-5H3,(H2,46,59)(H,49,64)(H,51,63)(H,52,60)(H,53,66)(H,54,62)(H,55,65)(H,56,67)(H,57,61)(H2,47,48,50)/b23-22-

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InChIKey: XATUQCHCLJEEGO-FCQUAONHSA-N

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Properties Information

Molecule Weight: 979.2599999999998

TPSA: 361.4500000000001

MolLogP: 7.0817700000000094

Number of H-Donors: 13

Number of H-Acceptors: 12

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information