Mureidomycin A

AlkaPlorer ID: AK026559

Synonym: 'Sansanmycin D', 'Mureidomycin A'

IUPAC Name: 2-[[1-[[3-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid

Structure

SMILES: CSCCC(N=C(O)NC(CC1=CC=CC(O)=C1)C(=O)O)C(O)=NC(C(O)=N/C=C1/C[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O1)C(C)N(C)C(=O)C(N)CC1=CC=CC(O)=C1

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InChI: InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20?,26?,27?,28?,29-,31?,35-/m1/s1

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InChIKey: LLINEOOFHRQODR-QQCWUGGYSA-N

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Properties Information

Molecule Weight: 840.913

TPSA: 318.47

MolLogP: 1.5010000000000026

Number of H-Donors: 10

Number of H-Acceptors: 15

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information