(3R,5S)-4-acetamido-5-azanyl-3-[4-(4-hydroxyphenyl)butan-2-ylamino]cyclohexene-1-carboxylic acid

Systemtic Name: (3R,5S)-4-acetamido-5-azanyl-3-[4-(4-hydroxyphenyl)butan-2-ylamino]cyclohexene-1-carboxylic acid Openeye Name: (3R,5S)-4-acetamido-5-amino-3-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]cyclohexene-1-carboxylic acid CAS Name: (3R,5S)-4-acetamido-5-amino-3-[4-(4-hydroxyphenyl)butan-2-ylamino]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,5S)-4-acetamido-5-amino-3-[4-(4-hydroxyphenyl)butan-2-ylamino]cyclohexene-1-carboxylic acid Traditional Name: (3R,5S)-4-acetamido-5-amino-3-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]cyclohexene-1-carboxylic acid Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)NC2C=C(CC(C2NC(=O)C)N)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)O)N[C@@H]2C=C(C[C@@H](C2NC(=O)C)N)C(=O)O

InChI

InChI=1S/C19H27N3O4/c1-11(3-4-13-5-7-15(24)8-6-13)21-17-10-14(19(25)26)9-16(20)18(17)22-12(2)23/h5-8,10-11,16-18,21,24H,3-4,9,20H2,1-2H3,(H,22,23)(H,25,26)/t11?,16-,17+,18?/m0/s1