(2S)-2-[[(2S)-2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-3-hydroxy-2-[[(2S)-2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: (2S)-3-hydroxy-2-[[(2S)-2-[(3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[(2S)-2-(3-methylbutanoylamino)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: (2S)-3-hydroxy-2-[[(2S)-2-(isovalerylamino)-3-phenyl-propanoyl]amino]butyric acid Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-11(2)9-15(22)19-14(10-13-7-5-4-6-8-13)17(23)20-16(12(3)21)18(24)25/h4-8,11-12,14,16,21H,9-10H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)/t12?,14-,16-/m0/s1