2-[3-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C28H29N3O5S MolecularWeight: 519.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NCC(C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NCC(C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C28H29N3O5S/c32-24(21(15-19-9-3-1-4-10-19)30-27(35)20-11-5-2-6-12-20)16-29-22-18-37-25-14-8-7-13-23(25)31(28(22)36)17-26(33)34/h1-14,21-22,24,29,32H,15-18H2,(H,30,35)(H,33,34)