methyl (2S)-2-[(2-acetamido-2-prop-2-enyl-pent-4-enoyl)amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-acetamido-2-prop-2-enyl-pent-4-enoyl)amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(2-acetamido-2-allyl-pent-4-enoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(2-acetamido-1-oxo-2-prop-2-enylpent-4-enyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-acetamido-2-prop-2-enylpent-4-enoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-acetamido-2-allyl-pent-4-enoyl)amino]-3-methyl-butyric acid methyl ester Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C(CC=C)(CC=C)NC(=O)C

InChI

InChI=1S/C16H26N2O4/c1-7-9-16(10-8-2,18-12(5)19)15(21)17-13(11(3)4)14(20)22-6/h7-8,11,13H,1-2,9-10H2,3-6H3,(H,17,21)(H,18,19)/t13-/m0/s1