methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanyl-propanoate Openeye Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoate CAS Name: 2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propionic acid methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CS)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CS)C(=O)OC

InChI

InChI=1S/C20H27N3O5S/c1-20(2,3)28-19(26)23-15(17(24)22-16(11-29)18(25)27-4)9-12-10-21-14-8-6-5-7-13(12)14/h5-8,10,15-16,21,29H,9,11H2,1-4H3,(H,22,24)(H,23,26)