3-azanyl-N-[(2-hydroxyethylcarbamoylamino)-(4-phenylphenyl)methyl]-3-methyl-N-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)butanamide

Systemtic Name: 3-azanyl-N-[(2-hydroxyethylcarbamoylamino)-(4-phenylphenyl)methyl]-3-methyl-N-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)butanamide Openeye Name: 3-amino-N-[(2-hydroxyethylcarbamoylamino)-(4-phenylphenyl)methyl]-3-methyl-N-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)butanamide CAS Name: 3-amino-N-[[[(2-hydroxyethylamino)-oxomethyl]amino]-(4-phenylphenyl)methyl]-3-methyl-N-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)butanamide IUPAC Name: 3-amino-N-[(2-hydroxyethylcarbamoylamino)-(4-phenylphenyl)methyl]-3-methyl-N-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)butanamide Traditional Name: 3-amino-N-[(2-hydroxyethylcarbamoylamino)-(4-phenylphenyl)methyl]-N-(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)-3-methyl-butyramide Formula: C30H35N5O4S MolecularWeight: 561.695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N(C1CSC2=CC=CC=C2NC1=O)C(C3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)NCCO)N

Isomeric SMILES

CC(C)(CC(=O)N(C1CSC2=CC=CC=C2NC1=O)C(C3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)NCCO)N

InChI

InChI=1S/C30H35N5O4S/c1-30(2,31)18-26(37)35(24-19-40-25-11-7-6-10-23(25)33-28(24)38)27(34-29(39)32-16-17-36)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-15,24,27,36H,16-19,31H2,1-2H3,(H,33,38)(H2,32,34,39)