(3S)-5-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: (3S)-5-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-5-(p-tolylsulfonylamino)pentanoic acid CAS Name: (3S)-5-[(4-methylphenyl)sulfonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (3S)-5-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-5-(tosylamino)valeric acid Formula: C17H26N2O6S MolecularWeight: 386.46314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N2O6S/c1-12-5-7-14(8-6-12)26(23,24)18-10-9-13(11-15(20)21)19-16(22)25-17(2,3)4/h5-8,13,18H,9-11H2,1-4H3,(H,19,22)(H,20,21)/t13-/m0/s1