2-[[2-azanyl-3-(cyclohexatrienyl)propanoyl]-ethanoyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-azanyl-3-(cyclohexatrienyl)propanoyl]-ethanoyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[acetyl-[2-amino-3-(cyclohexatrienyl)propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[acetyl-[2-amino-3-(cyclohexatrienyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[acetyl-[2-amino-3-(cyclohexatrienyl)propanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[acetyl-[2-amino-3-(cyclohexatrienyl)propanoyl]amino]-3-methyl-butyric acid Formula: C16H21N2O4 MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C(=O)C)C(=O)C(CC1=CC=CC=[C]1)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C(=O)C)C(=O)C(CC1=CC=CC=[C]1)N

InChI

InChI=1S/C16H21N2O4/c1-10(2)14(16(21)22)18(11(3)19)15(20)13(17)9-12-7-5-4-6-8-12/h4-7,10,13-14H,9,17H2,1-3H3,(H,21,22)