2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[4-(tert-butoxycarbonylamino)pentanoylamino]propanoic acid CAS Name: 2-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoic acid Traditional Name: 3-(benzylthio)-2-[4-(tert-butoxycarbonylamino)pentanoylamino]propionic acid Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O5S/c1-14(21-19(26)27-20(2,3)4)10-11-17(23)22-16(18(24)25)13-28-12-15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,21,26)(H,22,23)(H,24,25)