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1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

Properties

Image

Occurences in reactions

MNX_ID

MNXM341648

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₄₇N₅O₆

charge

mass

573.35263

reference

chebi:123907

InChIKey

AQPDNHSQVUKPGE-FRUANSSVSA-N

InChI

InChI=1S/C30H47N5O6/c1-19-16-35(20(2)18-36)29(37)25-15-24(33(6)7)12-13-26(25)40-21(3)11-9-10-14-39-27(19)17-34(8)30(38)31-28-22(4)32-41-23(28)5/h12-13,15,19-21,27,36H,9-11,14,16-18H2,1-8H3,(H,31,38)/t19-,20-,21+,27+/m0/s1

SMILES

Cc1noc(C)c1NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:123907 chebi:123907	1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea