Mureidomycin A; 3'''-Deoxy, 4'''-bromo

AlkaPlorer ID: AK307064

Synonym: None

IUPAC Name: None

Structure

SMILES: CSCCC(NC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)O)C(=O)NC(C(=O)N/C=C1/CC(O)C(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/C38H47BrN8O11S/c1-20(46(2)34(53)26(40)16-22-5-4-6-24(48)15-22)31(33(52)41-19-25-18-29(49)35(58-25)47-13-11-30(50)44-38(47)57)45-32(51)27(12-14-59-3)42-37(56)43-28(36(54)55)17-21-7-9-23(39)10-8-21/h4-11,13,15,19-20,26-29,31,35,48-49H,12,14,16-18,40H2,1-3H3,(H,41,52)(H,45,51)(H,54,55)(H2,42,43,56)(H,44,50,57)/b25-19-

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InChIKey: OOJAKCQUCXFLOZ-PLRJNAJWSA-N

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Reference

CAS: 2059150-47-7

Source

Properties Information

Molecule Weight: 903.81

TPSA: 287.51

MolLogP: 0.260600000000007

Number of H-Donors: 9

Number of H-Acceptors: 13

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information