butyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: butyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: butyl 2-[[2-(1-amino-3-methylsulfanyl-propyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-[1-amino-3-(methylthio)propyl]-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid butyl ester IUPAC Name: butyl 2-[[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-[1-amino-3-(methylthio)propyl]thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid butyl ester Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CCSC)N

Isomeric SMILES

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CCSC)N

InChI

InChI=1S/C23H30N4O3S2/c1-3-4-10-30-23(29)19(12-15-13-25-18-8-6-5-7-16(15)18)26-21(28)20-14-32-22(27-20)17(24)9-11-31-2/h5-8,13-14,17,19,25H,3-4,9-12,24H2,1-2H3,(H,26,28)