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

Systemtic Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]-3-[4-(phenylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]-3-[4-(phenylcarbamoyloxy)phenyl]propanoic acid CAS Name: 3-[4-[anilino(oxo)methoxy]phenyl]-2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]-3-[4-(phenylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]-3-[4-(phenylcarbamoyloxy)phenyl]propionic acid Formula: C31H29N3O7S2 MolecularWeight: 619.70786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)OC(=O)NC3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC2=CC=C(C=C2)OC(=O)NC3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

InChI

InChI=1S/C31H29N3O7S2/c35-29(28-18-25(42)19-34(28)43(39,40)26-15-12-21-6-4-5-7-22(21)17-26)33-27(30(36)37)16-20-10-13-24(14-11-20)41-31(38)32-23-8-2-1-3-9-23/h1-15,17,25,27-28,42H,16,18-19H2,(H,32,38)(H,33,35)(H,36,37)