2-[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]ethoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]ethoxy]ethyl ester IUPAC Name: 2-[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]ethoxy]ethyl ester Formula: C24H32N2O7S MolecularWeight: 492.58508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCNC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCNC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H32N2O7S/c1-18(2)22(26-24(28)32-17-20-7-5-4-6-8-20)23(27)25-13-14-31-15-16-33-34(29,30)21-11-9-19(3)10-12-21/h4-12,18,22H,13-17H2,1-3H3,(H,25,27)(H,26,28)/t22-/m0/s1