METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE (CHEBI:45592)

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CHEBI:45592 - METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE

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ChEBI ID	CHEBI:45592
ChEBI Name	METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE
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Last Modified	16 May 2008
Downloads	Molfile

Formula	C27H30N6O4S
Net Charge	0
Average Mass	534.642
Monoisotopic Mass	534.20492
SMILES	[H]c1nc([H])n(C([H])([H])[H])c1C([H])([H])N1c2c([H])c([H])c(-c3c([H])c([H])c([H])c([H])c3[H])c([H])c2C([H])([H])[C@]([H])(N(C([H])([H])C(=O)OC([H])([H])[H])S(=O)(=O)c2nc([H])n(C([H])([H])[H])c2[H])C1([H])[H]
InChI	InChI=1S/C27H30N6O4S/c1-30-16-26(29-19-30)38(35,36)33(17-27(34)37-3)23-12-22-11-21(20-7-5-4-6-8-20)9-10-25(22)32(14-23)15-24-13-28-18-31(24)2/h4-11,13,16,18-19,23H,12,14-15,17H2,1-3H3/t23-/m0/s1
InChIKey	AXHJABJJHXFRSM-QHCPKHFHSA-N

ChEBI Ontology

Outgoing Relation(s)
	METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE (CHEBI:45592) is a unclassifieds (CHEBI:27189)

Synonyms	Source
methyl N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinate	PDBeChem
METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE	PDBeChem

Manual Xrefs	Databases
S48	PDBeChem