(2S)-2-[[5-methylhexanoyl(oxidanyl)carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[5-methylhexanoyl(oxidanyl)carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[hydroxy(5-methylhexanoyl)carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[hydroxy-(5-methyl-1-oxohexyl)amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[hydroxy(5-methylhexanoyl)carbamoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[hydroxy(5-methylhexanoyl)carbamoyl]amino]-3-phenyl-propionic acid Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-12(2)7-6-10-15(20)19(24)17(23)18-14(16(21)22)11-13-8-4-3-5-9-13/h3-5,8-9,12,14,24H,6-7,10-11H2,1-2H3,(H,18,23)(H,21,22)/t14-/m0/s1