2-azanyl-5-[5-[2,3-bis(oxidanyl)propylamino]-4-methyl-2-oxidanylidene-pentyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-azanyl-5-[5-[2,3-bis(oxidanyl)propylamino]-4-methyl-2-oxidanylidene-pentyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-amino-5-[5-(2,3-dihydroxypropylamino)-4-methyl-2-oxo-pentyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-amino-5-[5-(2,3-dihydroxypropylamino)-4-methyl-2-oxopentyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-amino-5-[5-(2,3-dihydroxypropylamino)-4-methyl-2-oxopentyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-amino-5-[5-(glycerylamino)-2-keto-4-methyl-pentyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CN1C(=O)CC(SC2=CC=CC=C21)N)CNCC(CO)O

Isomeric SMILES

CC(CC(=O)CN1C(=O)CC(SC2=CC=CC=C21)N)CNCC(CO)O

InChI

InChI=1S/C18H27N3O4S/c1-12(8-20-9-14(24)11-22)6-13(23)10-21-15-4-2-3-5-16(15)26-17(19)7-18(21)25/h2-5,12,14,17,20,22,24H,6-11,19H2,1H3