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N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide

Properties

Image

Occurences in reactions

MNX_ID

MNXM581662

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

formula

C₃₁H₄₅N₃O₇S

charge

mass

603.29782

reference

chebi:124076

InChIKey

XPIAMQJKSFNCJS-IDCDSMMUSA-N

InChI

InChI=1S/C31H45N3O7S/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-30(36)17-25-12-7-6-8-13-25)14-15-28(27)41-24(3)11-9-10-16-40-29(22)20-33(4)42(5,38)39/h6-8,12-15,18,22-24,29,35H,9-11,16-17,19-21H2,1-5H3,(H,32,36)/t22-,23-,24+,29-/m1/s1

SMILES

C[C@H]1CCCCO[C@H](CN(C)S(C)(=O)=O)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:124076 chebi:124076	N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide