(2S)-2-azanyl-3-[4-[2-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonyl-4-nitro-phenoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[2-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonyl-4-nitro-phenoxy]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-nitro-phenoxy]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-4-nitrophenoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-nitrophenoxy]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]-4-nitro-phenoxy]phenyl]propionic acid Formula: C26H23Cl2N3O8S MolecularWeight: 608.44712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=C(C=C4)CC(C(=O)O)N

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=C(C=C4)C[C@@H](C(=O)O)N

InChI

InChI=1S/C26H23Cl2N3O8S/c27-16-11-17(28)13-20(12-16)40(37,38)30-9-1-2-23(30)25(32)21-14-18(31(35)36)5-8-24(21)39-19-6-3-15(4-7-19)10-22(29)26(33)34/h3-8,11-14,22-23H,1-2,9-10,29H2,(H,33,34)/t22-,23-/m0/s1