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

Systemtic Name: 2-[4-formamido-2-oxidanyl-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-thiazolidin-3-ium-3-yl]propanoic acid CAS Name: 2-[4-formamido-2-hydroxy-3-[1-oxo-6-phenyl-2-(phenylmethoxycarbonylamino)hexyl]-3-thiazolidin-3-iumyl]propanoic acid IUPAC Name: 2-[4-formamido-2-hydroxy-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-thiazolidin-3-ium-3-yl]propionic acid Formula: C27H34N3O7S+ MolecularWeight: 544.63976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1(C(CSC1O)NC=O)C(=O)C(CCCCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)[N+]1(C(CSC1O)NC=O)C(=O)C(CCCCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O7S/c1-19(25(33)34)30(23(28-18-31)17-38-27(30)36)24(32)22(15-9-8-12-20-10-4-2-5-11-20)29-26(35)37-16-21-13-6-3-7-14-21/h2-7,10-11,13-14,18-19,22-23,27,36H,8-9,12,15-17H2,1H3,(H2-,28,29,31,33,34,35)/p+1