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

Systemtic Name: 2-[4-formamido-2-oxidanylidene-3-[6-phenyl-2-(phenylmethoxycarbonylamino)hexanoyl]-4-propan-2-yl-1,3-thiazolidin-3-ium-3-yl]propanoic acid Openeye Name: 2-[3-[2-(benzyloxycarbonylamino)-6-phenyl-hexanoyl]-4-formamido-4-isopropyl-2-oxo-thiazolidin-3-ium-3-yl]propanoic acid CAS Name: 2-[4-formamido-2-oxo-3-[1-oxo-6-phenyl-2-(phenylmethoxycarbonylamino)hexyl]-4-propan-2-yl-3-thiazolidin-3-iumyl]propanoic acid IUPAC Name: 2-[4-formamido-2-oxo-3-[6-phenyl-2-(phenylmethoxycarbonylamino)hexanoyl]-4-propan-2-yl-1,3-thiazolidin-3-ium-3-yl]propanoic acid Traditional Name: 2-[3-[2-(benzyloxycarbonylamino)-6-phenyl-hexanoyl]-4-formamido-4-isopropyl-2-keto-thiazolidin-3-ium-3-yl]propionic acid Formula: C30H38N3O7S+ MolecularWeight: 584.70362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CSC(=O)[N+]1(C(C)C(=O)O)C(=O)C(CCCCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC=O

Isomeric SMILES

CC(C)C1(CSC(=O)[N+]1(C(C)C(=O)O)C(=O)C(CCCCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC=O

InChI

InChI=1S/C30H37N3O7S/c1-21(2)30(31-20-34)19-41-29(39)33(30,22(3)27(36)37)26(35)25(17-11-10-14-23-12-6-4-7-13-23)32-28(38)40-18-24-15-8-5-9-16-24/h4-9,12-13,15-16,20-22,25H,10-11,14,17-19H2,1-3H3,(H2-,31,32,34,36,37,38)/p+1