(2R,3R)-4-[5-(1,3-benzothiazol-6-ylamino)pentyl-methyl-amino]-2-(carboxymethyloxy)-3-[5-(3,4-dimethylphenyl)pentoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R,3R)-4-[5-(1,3-benzothiazol-6-ylamino)pentyl-methyl-amino]-2-(carboxymethyloxy)-3-[5-(3,4-dimethylphenyl)pentoxy]-4-oxidanylidene-butanoic acid Openeye Name: (2R,3R)-4-[5-(1,3-benzothiazol-6-ylamino)pentyl-methyl-amino]-2-(carboxymethyloxy)-3-[5-(3,4-dimethylphenyl)pentoxy]-4-oxo-butanoic acid CAS Name: (2R,3R)-4-[5-(1,3-benzothiazol-6-ylamino)pentyl-methylamino]-2-(carboxymethyloxy)-3-[5-(3,4-dimethylphenyl)pentoxy]-4-oxobutanoic acid IUPAC Name: (2R,3R)-4-[5-(1,3-benzothiazol-6-ylamino)pentyl-methylamino]-2-(carboxymethyloxy)-3-[5-(3,4-dimethylphenyl)pentoxy]-4-oxobutanoic acid Traditional Name: (2R,3R)-4-[5-(1,3-benzothiazol-6-ylamino)pentyl-methyl-amino]-2-(carboxymethyloxy)-3-[5-(3,4-dimethylphenyl)pentoxy]-4-keto-butyric acid Formula: C32H43N3O7S MolecularWeight: 613.76472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCCOC(C(C(=O)O)OCC(=O)O)C(=O)N(C)CCCCCNC2=CC3=C(C=C2)N=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCCO[C@H]([C@H](C(=O)O)OCC(=O)O)C(=O)N(C)CCCCCNC2=CC3=C(C=C2)N=CS3)C

InChI

InChI=1S/C32H43N3O7S/c1-22-11-12-24(18-23(22)2)10-6-4-9-17-41-29(30(32(39)40)42-20-28(36)37)31(38)35(3)16-8-5-7-15-33-25-13-14-26-27(19-25)43-21-34-26/h11-14,18-19,21,29-30,33H,4-10,15-17,20H2,1-3H3,(H,36,37)(H,39,40)/t29-,30-/m1/s1