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

Systemtic Name: 2-azanyl-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]propanoic acid Openeye Name: 2-amino-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]propanoic acid CAS Name: 2-amino-3-[[5-[[carboxymethyl(phenethyl)amino]-oxomethyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinyl]disulfanyl]propanoic acid IUPAC Name: 2-amino-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]disulfanyl]propanoic acid Traditional Name: 2-amino-3-[[5-[carboxymethyl(phenethyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]propionic acid Formula: C28H31N3O7S3 MolecularWeight: 617.75664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N(CCC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SSCC(C(=O)O)N

Isomeric SMILES

C1C(CN(C1C(=O)N(CCC2=CC=CC=C2)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SSCC(C(=O)O)N

InChI

InChI=1S/C28H31N3O7S3/c29-24(28(35)36)18-39-40-22-15-25(27(34)30(17-26(32)33)13-12-19-6-2-1-3-7-19)31(16-22)41(37,38)23-11-10-20-8-4-5-9-21(20)14-23/h1-11,14,22,24-25H,12-13,15-18,29H2,(H,32,33)(H,35,36)