methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-mercapto-propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H26N2O5S/c1-18(2,3)25-17(23)20-14(11-26)15(21)19-13(16(22)24-4)10-12-8-6-5-7-9-12/h5-9,13-14,26H,10-11H2,1-4H3,(H,19,21)(H,20,23)