(2S)-2-[[(2S)-1-[(2R)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-1-[(2R)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-1-[(2R)-3-acetylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(2S)-1-[(2R)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-1-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-1-[(2R)-3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionate Formula: C20H25N2O5S- MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H26N2O5S/c1-13(12-28-14(2)23)19(25)22-10-6-9-17(22)18(24)21-16(20(26)27)11-15-7-4-3-5-8-15/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,21,24)(H,26,27)/p-1/t13-,16-,17-/m0/s1