(phenylmethyl) 3-[[1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[[1-acetamido-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[[1-acetamido-2-(benzylamino)-2-oxo-ethyl]amino]-3-oxo-propanoate CAS Name: 3-[[1-acetamido-2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1-acetamido-2-(benzylamino)-2-oxoethyl]amino]-3-oxopropanoate Traditional Name: 3-[[1-acetamido-2-(benzylamino)-2-keto-ethyl]amino]-3-keto-propionic acid benzyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)NCC1=CC=CC=C1)NC(=O)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(C(=O)NCC1=CC=CC=C1)NC(=O)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-15(25)23-20(21(28)22-13-16-8-4-2-5-9-16)24-18(26)12-19(27)29-14-17-10-6-3-7-11-17/h2-11,20H,12-14H2,1H3,(H,22,28)(H,23,25)(H,24,26)