(2S)-2-[[(2R,3S)-3-azanyl-5-methyl-2-oxidanyl-hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2R,3S)-3-azanyl-5-methyl-2-oxidanyl-hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-phenyl-propionic acid Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-10(2)8-12(17)14(19)15(20)18-13(16(21)22)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14+/m0/s1