4-[[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]-phenyl-amino]butanoic acid

Systemtic Name: 4-[[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]-phenyl-amino]butanoic acid Openeye Name: 4-(N-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]anilino)butanoic acid CAS Name: 4-(N-[(3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl)amino]anilino)butanoic acid IUPAC Name: 4-(N-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]anilino)butanoic acid Traditional Name: 4-(N-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]anilino)butyric acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(C(=O)NN(CCCC(=O)O)C2=CC=CC=C2)O)N

Isomeric SMILES

C1CCC(CC1)CC(C(C(=O)NN(CCCC(=O)O)C2=CC=CC=C2)O)N

InChI

InChI=1S/C20H31N3O4/c21-17(14-15-8-3-1-4-9-15)19(26)20(27)22-23(13-7-12-18(24)25)16-10-5-2-6-11-16/h2,5-6,10-11,15,17,19,26H,1,3-4,7-9,12-14,21H2,(H,22,27)(H,24,25)