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

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-aminocarbonyl-5-[3-(4-methoxyphenyl)propyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-carbamoyl-5-[3-(4-methoxyphenyl)propyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate CAS Name: N-[(3R)-7-carbamoyl-5-[3-(4-methoxyphenyl)propyl]-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-(4-methoxyphenyl)propyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Traditional Name: N-[(3R)-7-carbamoyl-4-keto-5-[3-(4-methoxyphenyl)propyl]-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C35H33N3O5S MolecularWeight: 607.71862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCN2C3=C(C=CC(=C3)C(=O)N)SCC(C2=O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

COC1=CC=C(C=C1)CCCN2C3=C(C=CC(=C3)C(=O)N)SC[C@@H](C2=O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C35H33N3O5S/c1-42-24-15-12-22(13-16-24)7-6-18-38-31-19-23(33(36)39)14-17-32(31)44-21-30(34(38)40)37-35(41)43-20-29-27-10-4-2-8-25(27)26-9-3-5-11-28(26)29/h2-5,8-17,19,29-30H,6-7,18,20-21H2,1H3,(H2,36,39)(H,37,41)/t30-/m0/s1