tert-butyl 2-[butoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]-3-sulfanyl-propanoate

Systemtic Name: tert-butyl 2-[butoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]-3-sulfanyl-propanoate Openeye Name: tert-butyl 2-[2-(benzyloxycarbonylamino)ethyl-butoxycarbonyl-amino]-3-sulfanyl-propanoate CAS Name: 2-[[butoxy(oxo)methyl]-[2-(phenylmethoxycarbonylamino)ethyl]amino]-3-mercaptopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[butoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)ethyl-butoxycarbonyl-amino]-3-mercapto-propionic acid tert-butyl ester Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CCNC(=O)OCC1=CC=CC=C1)C(CS)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC(=O)N(CCNC(=O)OCC1=CC=CC=C1)C(CS)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O6S/c1-5-6-14-28-21(27)24(18(16-31)19(25)30-22(2,3)4)13-12-23-20(26)29-15-17-10-8-7-9-11-17/h7-11,18,31H,5-6,12-16H2,1-4H3,(H,23,26)