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

Systemtic Name: 3-[4-[(4-methoxyphenyl)carbamoyloxy]phenyl]-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-[(4-methoxyphenyl)carbamoyloxy]phenyl]-2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(4-methoxyanilino)-oxomethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methoxyphenyl)carbamoyloxy]phenyl]-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]-3-[4-[(4-methoxyphenyl)carbamoyloxy]phenyl]propionic acid Formula: C32H31N3O8S2 MolecularWeight: 649.73384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CC(CN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CC(CN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

InChI

InChI=1S/C32H31N3O8S2/c1-42-24-13-9-23(10-14-24)33-32(39)43-25-11-6-20(7-12-25)16-28(31(37)38)34-30(36)29-18-26(44)19-35(29)45(40,41)27-15-8-21-4-2-3-5-22(21)17-27/h2-15,17,26,28-29,44H,16,18-19H2,1H3,(H,33,39)(H,34,36)(H,37,38)