(2S)-2-[octyl-[(2S)-1-sulfinopyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[octyl-[(2S)-1-sulfinopyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[octyl-[(2S)-1-sulfinopyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[octyl-[oxo-[(2S)-1-sulfino-2-pyrrolidinyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[octyl-[(2S)-1-sulfinopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[octyl-[(2S)-1-sulfinoprolyl]amino]-3-phenyl-propionic acid Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCN2S(=O)O

Isomeric SMILES

CCCCCCCCN([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)[C@@H]2CCCN2S(=O)O

InChI

InChI=1S/C22H34N2O5S/c1-2-3-4-5-6-10-15-23(21(25)19-14-11-16-24(19)30(28)29)20(22(26)27)17-18-12-8-7-9-13-18/h7-9,12-13,19-20H,2-6,10-11,14-17H2,1H3,(H,26,27)(H,28,29)/t19-,20-/m0/s1