3-[4-(3-azanylpropylamino)butylamino]-4-oxidanylidene-4-phenylmethoxy-2,2-bis(phenylmethoxycarbonyl)butanoic acid

Systemtic Name: 3-[4-(3-azanylpropylamino)butylamino]-4-oxidanylidene-4-phenylmethoxy-2,2-bis(phenylmethoxycarbonyl)butanoic acid Openeye Name: 3-[4-(3-aminopropylamino)butylamino]-4-benzyloxy-2,2-bis(benzyloxycarbonyl)-4-oxo-butanoic acid CAS Name: 3-[4-(3-aminopropylamino)butylamino]-4-oxo-4-phenylmethoxy-2,2-bis(phenylmethoxycarbonyl)butanoic acid IUPAC Name: 3-[4-(3-aminopropylamino)butylamino]-4-oxo-4-phenylmethoxy-2,2-bis(phenylmethoxycarbonyl)butanoic acid Traditional Name: 3-[4-(3-aminopropylamino)butylamino]-4-benzoxy-2,2-dicarbobenzoxy-4-keto-butyric acid Formula: C34H41N3O8 MolecularWeight: 619.70464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(C(=O)O)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NCCCCNCCCN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C(C(=O)O)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NCCCCNCCCN

InChI

InChI=1S/C34H41N3O8/c35-19-12-21-36-20-10-11-22-37-29(30(38)43-23-26-13-4-1-5-14-26)34(31(39)40,32(41)44-24-27-15-6-2-7-16-27)33(42)45-25-28-17-8-3-9-18-28/h1-9,13-18,29,36-37H,10-12,19-25,35H2,(H,39,40)