CCOC(=O)c1cccc2nc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](N)C3)sc12

이름: Example ( 81e )

IUPAC: ethyl 2-[(3R,4S)-3-amino-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-1,3-benzothiazole-7-carboxylate

SMILES: CCOC(=O)c1cccc2nc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](N)C3)sc12

Canonical SMILES: CCC1=C(N=C(N1)C(=O)NC2CCN(CC2N)C3=NC4=CC=CC(=C4S3)C(=O)OCC)Cl

분자식: C21H25ClN6O3S

분자량: 477.00

InChIKey: LJCMSMIOSVIGSQ-OCCSQVGLSA-N

InChI:

InChI=1S/C21H25ClN6O3S/c1-3-13-17(22)27-18(24-13)19(29)25-14-8-9-28(10-12(14)23)21-26-15-7-5-6-11(16(15)32-21)20(30)31-4-2/h5-7,12,14H,3-4,8-10,23H2,1-2H3,(H,24,27)(H,25,29)/t12-,14+/m1/s1

PubChem CID: 86648558 →

동의어

LJCMSMIOSVIGSQ-OCCSQVGLSA-NEthyl cis(+/-)-2-(3-amino-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl)-1,3-benzothiazole-7-carboxylate

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