methyl (2S)-2-[[(2R)-2-azanyl-3-thiophen-2-yl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-azanyl-3-thiophen-2-yl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-amino-3-(2-thienyl)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-amino-1-oxo-3-thiophen-2-ylpropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-amino-3-(2-thienyl)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CS2)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CS2)N

InChI

InChI=1S/C17H20N2O3S/c1-22-17(21)15(10-12-6-3-2-4-7-12)19-16(20)14(18)11-13-8-5-9-23-13/h2-9,14-15H,10-11,18H2,1H3,(H,19,20)/t14-,15+/m1/s1