9H-fluoren-9-ylmethyl N-[(3R)-7-aminocarbonyl-5-(3-methylbutyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-aminocarbonyl-5-(3-methylbutyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-carbamoyl-5-isopentyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate CAS Name: N-[(3R)-7-carbamoyl-5-(3-methylbutyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-carbamoyl-5-(3-methylbutyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Traditional Name: N-[(3R)-7-carbamoyl-5-isoamyl-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)C(=O)N)SCC(C1=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)C(=O)N)SC[C@@H](C1=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C30H31N3O4S/c1-18(2)13-14-33-26-15-19(28(31)34)11-12-27(26)38-17-25(29(33)35)32-30(36)37-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-12,15,18,24-25H,13-14,16-17H2,1-2H3,(H2,31,34)(H,32,36)/t25-/m0/s1