4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoic acid

Systemtic Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoic acid Openeye Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoic acid CAS Name: 4-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]-(3,3-diphenylpropyl)amino]butanoic acid IUPAC Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butanoic acid Traditional Name: 4-[1,3-benzothiazol-2-ylcarbamoyl(3,3-diphenylpropyl)amino]butyric acid Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN(CCCC(=O)O)C(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCN(CCCC(=O)O)C(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c31-25(32)16-9-18-30(27(33)29-26-28-23-14-7-8-15-24(23)34-26)19-17-22(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-15,22H,9,16-19H2,(H,31,32)(H,28,29,33)