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

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-aminocarbonyl-4-oxidanylidene-5-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(3R)-5-benzyl-7-carbamoyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate CAS Name: N-[(3R)-7-carbamoyl-4-oxo-5-(phenylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(3R)-5-benzyl-7-carbamoyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Traditional Name: N-[(3R)-5-benzyl-7-carbamoyl-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C32H27N3O4S MolecularWeight: 549.63948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=C(S1)C=CC(=C2)C(=O)N)CC3=CC=CC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1[C@@H](C(=O)N(C2=C(S1)C=CC(=C2)C(=O)N)CC3=CC=CC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C32H27N3O4S/c33-30(36)21-14-15-29-28(16-21)35(17-20-8-2-1-3-9-20)31(37)27(19-40-29)34-32(38)39-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-16,26-27H,17-19H2,(H2,33,36)(H,34,38)/t27-/m0/s1