3-(4-naphthalen-1-ylsulfonyloxyphenyl)-2-[(1-naphthalen-1-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-naphthalen-1-ylsulfonyloxyphenyl)-2-[(1-naphthalen-1-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(1-naphthylsulfonyloxy)phenyl]-2-[[1-(1-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[4-mercapto-1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-(1-naphthalenylsulfonyloxy)phenyl]propanoic acid IUPAC Name: 3-(4-naphthalen-1-ylsulfonyloxyphenyl)-2-[(1-naphthalen-1-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 2-[[4-mercapto-1-(1-naphthylsulfonyl)prolyl]amino]-3-[4-(1-naphthylsulfonyloxy)phenyl]propionic acid Formula: C34H30N2O8S3 MolecularWeight: 690.8056

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)C5=CC=CC6=CC=CC=C65)S

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)C5=CC=CC6=CC=CC=C65)S

InChI

InChI=1S/C34H30N2O8S3/c37-33(30-20-26(45)21-36(30)46(40,41)31-13-5-9-23-7-1-3-11-27(23)31)35-29(34(38)39)19-22-15-17-25(18-16-22)44-47(42,43)32-14-6-10-24-8-2-4-12-28(24)32/h1-18,26,29-30,45H,19-21H2,(H,35,37)(H,38,39)