N-(2-azanylethyl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]-3-phenylmethoxy-propanamide

Systemtic Name: N-(2-azanylethyl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]-3-phenylmethoxy-propanamide Openeye Name: N-(2-aminoethyl)-3-benzyloxy-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]propanamide CAS Name: N-(2-aminoethyl)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]-3-phenylmethoxypropanamide IUPAC Name: N-(2-aminoethyl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]-3-phenylmethoxypropanamide Traditional Name: N-(2-aminoethyl)-3-benzoxy-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]propionamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)NC(COCC3=CC=CC=C3)C(=O)NCCN

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)NC(COCC3=CC=CC=C3)C(=O)NCCN

InChI

InChI=1S/C23H28N4O4S/c24-11-12-25-23(30)18(16-31-15-17-6-2-1-3-7-17)26-21(28)14-27-19-8-4-5-9-20(19)32-13-10-22(27)29/h1-9,18H,10-16,24H2,(H,25,30)(H,26,28)