2-[4-formamido-2-oxidanyl-2-phenyl-3-[6-phenyl-2-(phenylmethoxycarbonylamino)hexanoyl]-1,3-thiazolidin-3-ium-3-yl]propanoic acid

Systemtic Name: 2-[4-formamido-2-oxidanyl-2-phenyl-3-[6-phenyl-2-(phenylmethoxycarbonylamino)hexanoyl]-1,3-thiazolidin-3-ium-3-yl]propanoic acid Openeye Name: 2-[3-[2-(benzyloxycarbonylamino)-6-phenyl-hexanoyl]-4-formamido-2-hydroxy-2-phenyl-thiazolidin-3-ium-3-yl]propanoic acid CAS Name: 2-[4-formamido-2-hydroxy-3-[1-oxo-6-phenyl-2-(phenylmethoxycarbonylamino)hexyl]-2-phenyl-3-thiazolidin-3-iumyl]propanoic acid IUPAC Name: 2-[4-formamido-2-hydroxy-2-phenyl-3-[6-phenyl-2-(phenylmethoxycarbonylamino)hexanoyl]-1,3-thiazolidin-3-ium-3-yl]propanoic acid Traditional Name: 2-[3-[2-(benzyloxycarbonylamino)-6-phenyl-hexanoyl]-4-formamido-2-hydroxy-2-phenyl-thiazolidin-3-ium-3-yl]propionic acid Formula: C33H38N3O7S+ MolecularWeight: 620.73572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1(C(CSC1(C2=CC=CC=C2)O)NC=O)C(=O)C(CCCCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)[N+]1(C(CSC1(C2=CC=CC=C2)O)NC=O)C(=O)C(CCCCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H37N3O7S/c1-24(31(39)40)36(29(34-23-37)22-44-33(36,42)27-18-9-4-10-19-27)30(38)28(20-12-11-15-25-13-5-2-6-14-25)35-32(41)43-21-26-16-7-3-8-17-26/h2-10,13-14,16-19,23-24,28-29,42H,11-12,15,20-22H2,1H3,(H2-,34,35,37,39,40,41)/p+1