(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-dimethylaminophenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-dimethylaminophenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-dimethylaminophenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-dimethylaminophenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-dimethylaminophenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-dimethylaminophenyl)propionic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C20H25N3O4/c1-23(2)15-7-3-14(4-8-15)12-18(20(26)27)22-19(25)17(21)11-13-5-9-16(24)10-6-13/h3-10,17-18,24H,11-12,21H2,1-2H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1