6-O-Methylbouvardin

(1S,4R,7S,10S,13S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

Also Known As: 6-O-Methylbouvardin|Bouvardin, 6-(3-hydroxy-N,O-dimethyl-L-tyrosine)-|BOUVARDIN, METHYL ETHER (B613763K151)|2,6-diamino-pyrimidin-4,5-dione 5-[(4-nitro-phenyl)-hydrazone]|(1S,4R,7S,10S,13S)-7-(hydroxymethyl)-24-methoxy-10-((4-methoxyphenyl)methyl)-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo(14.12.2.218,21.123,27)tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone|Cyclo(D-alanyl-L-seryl-N,O-dimethyl-L-tyrosyl-L-alanyl-N-methyl-L-tyrosyl-3-hydroxy-N,O-dimethyl-L-tyrosyl), cyclic (5(4)-6(3))-ether

Molecular Formula	C41H50N6O10
Molecular Weight	786.3588 g/mol
LogP	2.8
Topological Polar Surface Area	196.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	786.3588
Monoisotopic Mass	786.3588
Heavy Atoms	57
Complexity	1430.0

Chemical Identifiers

CAS Number	70840-66-3
SMILES	C[C@@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H](C(=O)N1)N(C2=O)C)OC)C)C)CC5=CC=C(C=C5)OC)C)CO
InChIKey	WASXNYRXXQONPG-PASMDGQESA-N