2-[[2-[2-(2-azanylpropylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[2-[2-(2-azanylpropylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[2-[2-(2-aminopropylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[2-[2-(2-aminopropylamino)-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-[2-(2-aminopropylamino)-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[2-[2-(2-aminopropylamino)-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-mesyl-butyric acid Formula: C23H39N3O6S MolecularWeight: 485.63726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)NCC(C)N

Isomeric SMILES

CCC(C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)NCC(C)N

InChI

InChI=1S/C23H39N3O6S/c1-5-16(2)20(25-14-17(3)24)15-32-21(13-18-9-7-6-8-10-18)22(27)26-19(23(28)29)11-12-33(4,30)31/h6-10,16-17,19-21,25H,5,11-15,24H2,1-4H3,(H,26,27)(H,28,29)