2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[benzyloxycarbonyl-[3-(benzyloxycarbonylamino)propyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl ester IUPAC Name: 2-[phenylmethoxycarbonyl-[3-(phenylmethoxycarbonylamino)propyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-(benzyloxycarbonylamino)propyl-carbobenzoxy-amino]ethyl ester Formula: C28H32N2O7S MolecularWeight: 540.62788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCCNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O7S/c1-23-13-15-26(16-14-23)38(33,34)37-20-19-30(28(32)36-22-25-11-6-3-7-12-25)18-8-17-29-27(31)35-21-24-9-4-2-5-10-24/h2-7,9-16H,8,17-22H2,1H3,(H,29,31)