dimethyl 5-[[(2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanethioyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanethioyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(2S)-6-amino-2-(benzyloxycarbonylamino)hexanethioyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)-1-sulfanylidenehexyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanethioyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2S)-6-amino-2-(benzyloxycarbonylamino)hexanethioyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)C(CCCCN)NC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)[C@H](CCCCN)NC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C24H29N3O6S/c1-31-22(28)17-12-18(23(29)32-2)14-19(13-17)26-21(34)20(10-6-7-11-25)27-24(30)33-15-16-8-4-3-5-9-16/h3-5,8-9,12-14,20H,6-7,10-11,15,25H2,1-2H3,(H,26,34)(H,27,30)/t20-/m0/s1