(2S)-2-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[2-(indan-5-ylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-mercapto-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(indan-5-ylmethyl)-3-mercapto-propanoyl]amino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC2=C(CCC2)C=C1)CS

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(CC1=CC2=C(CCC2)C=C1)CS

InChI

InChI=1S/C16H21NO3S/c1-10(16(19)20)17-15(18)14(9-21)8-11-5-6-12-3-2-4-13(12)7-11/h5-7,10,14,21H,2-4,8-9H2,1H3,(H,17,18)(H,19,20)/t10-,14?/m0/s1