(2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[1,3-bis(oxidanylidene)-1,3-bis(propylamino)propan-2-yl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[1,3-bis(oxidanylidene)-1,3-bis(propylamino)propan-2-yl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(propylamino)-1-(propylcarbamoyl)ethyl]pyrrolidine-3-carboxylic acid CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[1,3-dioxo-1,3-bis(propylamino)propan-2-yl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[1,3-dioxo-1,3-bis(propylamino)propan-2-yl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-keto-2-(propylamino)-1-(propylcarbamoyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C28H35N3O7 MolecularWeight: 525.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C(=O)NCCC)N1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCNC(=O)C(C(=O)NCCC)N1C[C@@H]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H35N3O7/c1-4-12-29-26(32)25(27(33)30-13-5-2)31-15-20(18-8-11-21-22(14-18)38-16-37-21)23(28(34)35)24(31)17-6-9-19(36-3)10-7-17/h6-11,14,20,23-25H,4-5,12-13,15-16H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)/t20-,23+,24-/m1/s1