CHEBI:103605 - 4-(dimethylamino)-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(dimethylamino)-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
ChEBI ID CHEBI:103605
Stars This entity has been manually annotated by a third party.
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Formula C32H55N5O6
Net Charge 0
Average Mass 605.810
Monoisotopic Mass 605.41523
InChI InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25+,29+/m1/s1
InChIKey AIBBTECRVWULHH-SGDZTBBFSA-N
SMILES C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:103605) is a azamacrocycle (CHEBI:52898)
4-(dimethylamino)-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:103605) is a lactam (CHEBI:24995)
Manual Xref Database
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Last Modified
03 March 2016