(2S,3S)-2-[2-[ethyl-(phenylmethyl)azaniumyl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[2-[ethyl-(phenylmethyl)azaniumyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[2-[benzyl(ethyl)ammonio]acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[2-[ethyl-(phenylmethyl)ammonio]-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[2-[benzyl(ethyl)azaniumyl]acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[2-[benzyl(ethyl)ammonio]acetyl]amino]-3-methyl-valerate Formula: C17H26N2O3 MolecularWeight: 306.39994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C[NH+](CC)CC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C[NH+](CC)CC1=CC=CC=C1

InChI

InChI=1S/C17H26N2O3/c1-4-13(3)16(17(21)22)18-15(20)12-19(5-2)11-14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,18,20)(H,21,22)/t13-,16-/m0/s1