3-azanylpropanoic acid; (2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 3-azanylpropanoic acid; (2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 3-aminopropanoic acid; (2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid CAS Name: 3-aminopropanoic acid; (2S)-2-[(2-methanethioyl-1-oxo-4-phenylbutyl)amino]-3-phenylpropanoic acid IUPAC Name: 3-aminopropanoic acid; (2S)-2-[(2-methanethioyl-4-phenylbutanoyl)amino]-3-phenylpropanoic acid Traditional Name: 3-aminopropionic acid; (2S)-3-phenyl-2-[(4-phenyl-2-thioformyl-butanoyl)amino]propionic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C=S)C(=O)NC(CC2=CC=CC=C2)C(=O)O.C(CN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C=S)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O.C(CN)C(=O)O

InChI

InChI=1S/C20H21NO3S.C3H7NO2/c22-19(17(14-25)12-11-15-7-3-1-4-8-15)21-18(20(23)24)13-16-9-5-2-6-10-16;4-2-1-3(5)6/h1-10,14,17-18H,11-13H2,(H,21,22)(H,23,24);1-2,4H2,(H,5,6)/t17?,18-;/m0./s1