(2S)-2-[[2-[(2S)-2-azanyl-3-oxidanyl-propyl]-5-phenylmethoxy-phenyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[2-[(2S)-2-azanyl-3-oxidanyl-propyl]-5-phenylmethoxy-phenyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[2-[(2S)-2-amino-3-hydroxy-propyl]-5-benzyloxy-anilino]-3-methyl-butanoic acid CAS Name: (2S)-2-[2-[(2S)-2-amino-3-hydroxypropyl]-5-phenylmethoxyanilino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[2-[(2S)-2-amino-3-hydroxypropyl]-5-phenylmethoxyanilino]-3-methylbutanoic acid Traditional Name: (2S)-2-[2-[(2S)-2-amino-3-hydroxy-propyl]-5-benzoxy-anilino]-3-methyl-butyric acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C=CC(=C1)OCC2=CC=CC=C2)CC(CO)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[C@@H](CO)N

InChI

InChI=1S/C21H28N2O4/c1-14(2)20(21(25)26)23-19-11-18(9-8-16(19)10-17(22)12-24)27-13-15-6-4-3-5-7-15/h3-9,11,14,17,20,23-24H,10,12-13,22H2,1-2H3,(H,25,26)/t17-,20-/m0/s1