4-[[1-[1-butyl-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]benzimidazol-2-yl]-2-phenyl-ethyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-[1-butyl-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]benzimidazol-2-yl]-2-phenyl-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[1-butyl-5-[(2-methoxy-2-oxo-ethyl)carbamoyl]benzimidazol-2-yl]-2-phenyl-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-[1-butyl-5-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]-2-benzimidazolyl]-2-phenylethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[1-butyl-5-[(2-methoxy-2-oxoethyl)carbamoyl]benzimidazol-2-yl]-2-phenylethyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-[1-butyl-5-[(2-keto-2-methoxy-ethyl)carbamoyl]benzimidazol-2-yl]-2-phenyl-ethyl]amino]-4-keto-butyric acid Formula: C27H32N4O6 MolecularWeight: 508.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)NCC(=O)OC)N=C1C(CC3=CC=CC=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)NCC(=O)OC)N=C1C(CC3=CC=CC=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C27H32N4O6/c1-3-4-14-31-22-11-10-19(27(36)28-17-25(35)37-2)16-20(22)30-26(31)21(15-18-8-6-5-7-9-18)29-23(32)12-13-24(33)34/h5-11,16,21H,3-4,12-15,17H2,1-2H3,(H,28,36)(H,29,32)(H,33,34)