[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate Openeye Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl] ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CCCCCNC(=O)N

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C19H27N3O4S/c1-14-10-12-22(15-7-4-5-8-16(15)27-14)17(23)13-26-18(24)9-3-2-6-11-21-19(20)25/h4-5,7-8,14H,2-3,6,9-13H2,1H3,(H3,20,21,25)/t14-/m0/s1