2-(tert-butylcarbamothioylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-(tert-butylcarbamothioylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-(tert-butylcarbamothioylamino)hexanoic acid CAS Name: 2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-(tert-butylcarbamothioylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 6-(benzyloxycarbonylamino)-2-(tert-butylthiocarbamoylamino)hexanoic acid Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=S)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C19H29N3O4S/c1-19(2,3)22-17(27)21-15(16(23)24)11-7-8-12-20-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,25)(H,23,24)(H2,21,22,27)