2-acetamido-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]propanoic acid CAS Name: 2-acetamido-3-[[5-[[carboxymethyl(phenethyl)amino]-oxomethyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinyl]disulfanyl]propanoic acid IUPAC Name: 2-acetamido-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]disulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]propionic acid Formula: C30H33N3O8S3 MolecularWeight: 659.79332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSSC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N(CCC4=CC=CC=C4)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSSC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N(CCC4=CC=CC=C4)CC(=O)O)C(=O)O

InChI

InChI=1S/C30H33N3O8S3/c1-20(34)31-26(30(38)39)19-42-43-24-16-27(29(37)32(18-28(35)36)14-13-21-7-3-2-4-8-21)33(17-24)44(40,41)25-12-11-22-9-5-6-10-23(22)15-25/h2-12,15,24,26-27H,13-14,16-19H2,1H3,(H,31,34)(H,35,36)(H,38,39)