Alterochromides; Alterochromide B, 3''-Bromo

AlkaPlorer ID: AK284063

Synonym: Bromoalterochromide B

IUPAC Name: None

Structure

SMILES: CCC(C)C1NC(=O)C(C(=O)CN)NC(=O)C(CC(N)=O)NC(=O)C(C(C)C)NC(=O)C(NC(=O)/C=C/C=C/C=C/C=C/C=C/C2=CC(Br)=C(O)C=C2)C(C)OC1=O

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InChI: InChI=1S/C40H52BrN7O10/c1-6-23(4)33-40(57)58-24(5)34(45-31(52)16-14-12-10-8-7-9-11-13-15-25-17-18-28(49)26(41)19-25)38(55)46-32(22(2)3)37(54)44-27(20-30(43)51)36(53)48-35(29(50)21-42)39(56)47-33/h7-19,22-24,27,32-35,49H,6,20-21,42H2,1-5H3,(H2,43,51)(H,44,54)(H,45,52)(H,46,55)(H,47,56)(H,48,53)/b8-7+,11-9+,12-10+,15-13+,16-14+

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InChIKey: JEJZXSBPYPUMPB-YWVRMHLASA-N

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Reference

CAS: 1623020-45-0

Properties Information

Molecule Weight: 870.7990000000002

TPSA: 278.21

MolLogP: 0.8673000000000035

Number of H-Donors: 8

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information