2-[[3-methyl-1-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentoxy]-(3-naphthalen-2-ylpropanoyl)amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[3-methyl-1-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentoxy]-(3-naphthalen-2-ylpropanoyl)amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[3-methyl-1-[(5-oxopyrrolidine-2-carbonyl)amino]pentoxy]-[3-(2-naphthyl)propanoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[3-methyl-1-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentoxy]-[3-(2-naphthalenyl)-1-oxopropyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[3-methyl-1-[(5-oxopyrrolidine-2-carbonyl)amino]pentoxy]-(3-naphthalen-2-ylpropanoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[3-methyl-1-(pyroglutamoylamino)pentoxy]-[3-(2-naphthyl)propanoyl]amino]butyric acid Formula: C29H39N3O8S MolecularWeight: 589.70026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(NC(=O)C1CCC(=O)N1)ON(C(CCS(=O)(=O)C)C(=O)O)C(=O)CCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)CC(NC(=O)C1CCC(=O)N1)ON(C(CCS(=O)(=O)C)C(=O)O)C(=O)CCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C29H39N3O8S/c1-4-19(2)17-26(31-28(35)23-12-13-25(33)30-23)40-32(24(29(36)37)15-16-41(3,38)39)27(34)14-10-20-9-11-21-7-5-6-8-22(21)18-20/h5-9,11,18-19,23-24,26H,4,10,12-17H2,1-3H3,(H,30,33)(H,31,35)(H,36,37)