3-[2-[(2-azanyl-3-methyl-butanoyl)-(3-phenylpropanoyl)amino]propanoylamino]-3-cyano-propanoic acid

Systemtic Name: 3-[2-[(2-azanyl-3-methyl-butanoyl)-(3-phenylpropanoyl)amino]propanoylamino]-3-cyano-propanoic acid Openeye Name: 3-[2-[(2-amino-3-methyl-butanoyl)-(3-phenylpropanoyl)amino]propanoylamino]-3-cyano-propanoic acid CAS Name: 3-[[2-[(2-amino-3-methyl-1-oxobutyl)-(1-oxo-3-phenylpropyl)amino]-1-oxopropyl]amino]-3-cyanopropanoic acid IUPAC Name: 3-[2-[(2-amino-3-methylbutanoyl)-(3-phenylpropanoyl)amino]propanoylamino]-3-cyanopropanoic acid Traditional Name: 3-[2-[(2-amino-3-methyl-butanoyl)-hydrocinnamoyl-amino]propanoylamino]-3-cyano-propionic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C#N)C(=O)CCC1=CC=CC=C1)N

Isomeric SMILES

CC(C)C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C#N)C(=O)CCC1=CC=CC=C1)N

InChI

InChI=1S/C21H28N4O5/c1-13(2)19(23)21(30)25(17(26)10-9-15-7-5-4-6-8-15)14(3)20(29)24-16(12-22)11-18(27)28/h4-8,13-14,16,19H,9-11,23H2,1-3H3,(H,24,29)(H,27,28)