methyl (2S)-3-methyl-2-[[(Z)-3-[(phenylmethyl)amino]but-2-enoyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[(Z)-3-[(phenylmethyl)amino]but-2-enoyl]amino]butanoate Openeye Name: methyl (2S)-2-[[(Z)-3-(benzylamino)but-2-enoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(Z)-1-oxo-3-[(phenylmethyl)amino]but-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(Z)-3-(benzylamino)but-2-enoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(Z)-3-(benzylamino)but-2-enoyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C=C(C)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)/C=C(/C)\NCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O3/c1-12(2)16(17(21)22-4)19-15(20)10-13(3)18-11-14-8-6-5-7-9-14/h5-10,12,16,18H,11H2,1-4H3,(H,19,20)/b13-10-/t16-/m0/s1