methyl 2-[[1-[1-(benzotriazol-1-ylmethylamino)-1-oxidanylidene-pentan-2-yl]-4-oxidanylidene-azetidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-[1-(benzotriazol-1-ylmethylamino)-1-oxidanylidene-pentan-2-yl]-4-oxidanylidene-azetidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-[1-(benzotriazol-1-ylmethylcarbamoyl)butyl]-4-oxo-azetidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[1-(1-benzotriazolylmethylamino)-1-oxopentan-2-yl]-4-oxo-2-azetidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-[1-(benzotriazol-1-ylmethylamino)-1-oxopentan-2-yl]-4-oxoazetidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[1-(benzotriazol-1-ylmethylcarbamoyl)butyl]-4-keto-azetidine-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H30N6O5 MolecularWeight: 506.5536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCN1C2=CC=CC=C2N=N1)N3C(CC3=O)C(=O)NC(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCC(C(=O)NCN1C2=CC=CC=C2N=N1)N3C(CC3=O)C(=O)NC(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H30N6O5/c1-3-9-21(24(34)27-16-31-20-13-8-7-12-18(20)29-30-31)32-22(15-23(32)33)25(35)28-19(26(36)37-2)14-17-10-5-4-6-11-17/h4-8,10-13,19,21-22H,3,9,14-16H2,1-2H3,(H,27,34)(H,28,35)