2-(tert-butylsulfanylcarbamoylamino)-5-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2-(tert-butylsulfanylcarbamoylamino)-5-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 5-(benzyloxycarbonylamino)-2-(tert-butylsulfanylcarbamoylamino)pentanoic acid CAS Name: 2-[[[(tert-butylthio)amino]-oxomethyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-(tert-butylsulfanylcarbamoylamino)-5-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 5-(benzyloxycarbonylamino)-2-[(tert-butylthio)carbamoylamino]valeric acid Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SNC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)SNC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H27N3O5S/c1-18(2,3)27-21-16(24)20-14(15(22)23)10-7-11-19-17(25)26-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,25)(H,22,23)(H2,20,21,24)