N-(2-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-[4-[2,3-bis(oxidanyl)propylamino]-3-methyl-butanoyl]-N-methyl-6-phenyl-benzamide

Systemtic Name: N-(2-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-[4-[2,3-bis(oxidanyl)propylamino]-3-methyl-butanoyl]-N-methyl-6-phenyl-benzamide Openeye Name: N-(2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-[4-(2,3-dihydroxypropylamino)-3-methyl-butanoyl]-N-methyl-6-phenyl-benzamide CAS Name: N-(2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-[4-(2,3-dihydroxypropylamino)-3-methyl-1-oxobutyl]-N-methyl-6-phenylbenzamide IUPAC Name: N-(2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-[4-(2,3-dihydroxypropylamino)-3-methylbutanoyl]-N-methyl-6-phenylbenzamide Traditional Name: N-(2-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-[4-(glycerylamino)-3-methyl-butanoyl]-N-methyl-6-phenyl-benzamide Formula: C31H36N4O5S MolecularWeight: 576.70634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC(=C1C(=O)N(C)N2C(=O)CC(SC3=CC=CC=C32)N)C4=CC=CC=C4)CNCC(CO)O

Isomeric SMILES

CC(CC(=O)C1=CC=CC(=C1C(=O)N(C)N2C(=O)CC(SC3=CC=CC=C32)N)C4=CC=CC=C4)CNCC(CO)O

InChI

InChI=1S/C31H36N4O5S/c1-20(17-33-18-22(37)19-36)15-26(38)24-12-8-11-23(21-9-4-3-5-10-21)30(24)31(40)34(2)35-25-13-6-7-14-27(25)41-28(32)16-29(35)39/h3-14,20,22,28,33,36-37H,15-19,32H2,1-2H3