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

Systemtic Name: 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butyl 4-methylbenzenesulfonate Openeye Name: 4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]butyl ester IUPAC Name: 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]butyl ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O6S/c1-18(2)22(26-24(28)31-17-20-9-5-4-6-10-20)23(27)25-15-7-8-16-32-33(29,30)21-13-11-19(3)12-14-21/h4-6,9-14,18,22H,7-8,15-17H2,1-3H3,(H,25,27)(H,26,28)/t22-/m0/s1