(3S)-4-oxidanylidene-3-(phenylmethyl)-4-(prop-2-enylamino)butanoic acid

Systemtic Name: (3S)-4-oxidanylidene-3-(phenylmethyl)-4-(prop-2-enylamino)butanoic acid Openeye Name: (3S)-4-(allylamino)-3-benzyl-4-oxo-butanoic acid CAS Name: (3S)-4-oxo-3-(phenylmethyl)-4-(prop-2-enylamino)butanoic acid IUPAC Name: (3S)-3-benzyl-4-oxo-4-(prop-2-enylamino)butanoic acid Traditional Name: (3S)-4-(allylamino)-3-benzyl-4-keto-butyric acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(CC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-2-8-15-14(18)12(10-13(16)17)9-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,15,18)(H,16,17)/t12-/m0/s1