2-[[3-azanyl-4-(4-butan-2-yloxyphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-azanyl-4-(4-butan-2-yloxyphenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-amino-2-hydroxy-4-(4-sec-butoxyphenyl)butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-amino-4-(4-butan-2-yloxyphenyl)-2-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-amino-4-(4-butan-2-yloxyphenyl)-2-hydroxybutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-amino-2-hydroxy-4-(4-sec-butoxyphenyl)butanoyl]amino]-4-methyl-valeric acid Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)CC(C(C(=O)NC(CC(C)C)C(=O)O)O)N

InChI

InChI=1S/C20H32N2O5/c1-5-13(4)27-15-8-6-14(7-9-15)11-16(21)18(23)19(24)22-17(20(25)26)10-12(2)3/h6-9,12-13,16-18,23H,5,10-11,21H2,1-4H3,(H,22,24)(H,25,26)