2-[(3R)-3-acetamido-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3R)-3-acetamido-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[(3R)-3-acetamido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[(3R)-3-acetamido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[(3R)-3-acetamido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: 2-[(3R)-3-acetamido-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(4-amidinobenzyl)acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)N[C@H]1CSC2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N5O3S/c1-13(27)25-16-12-30-18-5-3-2-4-17(18)26(21(16)29)11-19(28)24-10-14-6-8-15(9-7-14)20(22)23/h2-9,16H,10-12H2,1H3,(H3,22,23)(H,24,28)(H,25,27)/t16-/m0/s1