(2S)-2-azanyl-3-[4-[1-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]-3-methoxy-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[1-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]-3-methoxy-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1-(methoxymethyl)-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[1-[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-3-methoxy-1-oxopropan-2-yl]oxyphenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[1-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-3-methoxy-1-oxopropan-2-yl]oxyphenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-2-keto-1-(methoxymethyl)ethoxy]phenyl]propionic acid Formula: C23H26Cl2N2O7S MolecularWeight: 545.43274

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)OC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

COCC(C(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)OC3=CC=C(C=C3)C[C@@H](C(=O)O)N

InChI

InChI=1S/C23H26Cl2N2O7S/c1-33-13-21(34-17-6-4-14(5-7-17)9-19(26)23(29)30)22(28)20-3-2-8-27(20)35(31,32)18-11-15(24)10-16(25)12-18/h4-7,10-12,19-21H,2-3,8-9,13,26H2,1H3,(H,29,30)/t19-,20-,21?/m0/s1