2-(2,2-dimethylpropanoylamino)-4-[3-(phenylmethoxycarbonylamino)propylsulfanyl]butanoic acid

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-4-[3-(phenylmethoxycarbonylamino)propylsulfanyl]butanoic acid Openeye Name: 4-[3-(benzyloxycarbonylamino)propylsulfanyl]-2-(2,2-dimethylpropanoylamino)butanoic acid CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-[3-(phenylmethoxycarbonylamino)propylthio]butanoic acid IUPAC Name: 2-(2,2-dimethylpropanoylamino)-4-[3-(phenylmethoxycarbonylamino)propylsulfanyl]butanoic acid Traditional Name: 4-[3-(benzyloxycarbonylamino)propylthio]-2-(pivaloylamino)butyric acid Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CCSCCCNC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC(CCSCCCNC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C20H30N2O5S/c1-20(2,3)18(25)22-16(17(23)24)10-13-28-12-7-11-21-19(26)27-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)