ethyl (2S)-2-[(2-acetamido-2-prop-2-enyl-pent-4-enoyl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(2-acetamido-2-prop-2-enyl-pent-4-enoyl)amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(2-acetamido-2-allyl-pent-4-enoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-acetamido-1-oxo-2-prop-2-enylpent-4-enyl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-acetamido-2-prop-2-enylpent-4-enoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-acetamido-2-allyl-pent-4-enoyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC=C)(CC=C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(CC=C)(CC=C)NC(=O)C

InChI

InChI=1S/C21H28N2O4/c1-5-13-21(14-6-2,23-16(4)24)20(26)22-18(19(25)27-7-3)15-17-11-9-8-10-12-17/h5-6,8-12,18H,1-2,7,13-15H2,3-4H3,(H,22,26)(H,23,24)/t18-/m0/s1