N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-2-[(3R)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-2-[(3R)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-[(6-amino-2-methyl-3-pyridyl)methyl]-2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-[(6-amino-2-methylpyridin-3-yl)methyl]-2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: 2-[(3R)-3-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(6-amino-2-methyl-3-pyridyl)methyl]acetamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)N)CNC(=O)CN2C3=CC=CC=C3SCC(C2=O)N

Isomeric SMILES

CC1=C(C=CC(=N1)N)CNC(=O)CN2C3=CC=CC=C3SC[C@@H](C2=O)N

InChI

InChI=1S/C18H21N5O2S/c1-11-12(6-7-16(20)22-11)8-21-17(24)9-23-14-4-2-3-5-15(14)26-10-13(19)18(23)25/h2-7,13H,8-10,19H2,1H3,(H2,20,22)(H,21,24)/t13-/m0/s1