1-[[(3S,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-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]-1-methyl-3-propan-2-ylurea (CHEBI:100415)

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CHEBI:100415 - 1-[[(3S,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-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]-1-methyl-3-propan-2-ylurea

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ChEBI ID	CHEBI:100415
ChEBI Name	1-[[(3S,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-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]-1-methyl-3-propan-2-ylurea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H55N5O6
Net Charge	0
Average Mass	617.832
Monoisotopic Mass	617.41523
SMILES	CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m0/s1
InChIKey	RSKGZFLSRBPJST-YDXRHMNESA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3S,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-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]-1-methyl-3-propan-2-ylurea (CHEBI:100415) is a azamacrocycle (CHEBI:52898)
	1-[[(3S,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-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]-1-methyl-3-propan-2-ylurea (CHEBI:100415) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
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