2-[[(1S)-1-cyclohexyl-2-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 2-[[(1S)-1-cyclohexyl-2-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 2-[[(1S)-1-cyclohexyl-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[(1S)-2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[(1S)-2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]propanoic acid Traditional Name: 2-[[(1S)-1-cyclohexyl-2-keto-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]ethyl]amino]propionic acid Formula: C23H35N3O4 MolecularWeight: 417.5417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(C2CCCCC2)NC(C)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](C2CCCCC2)NC(C)C(=O)O

InChI

InChI=1S/C23H35N3O4/c1-15(2)14-19(21(27)25-18-12-8-5-9-13-18)26-22(28)20(24-16(3)23(29)30)17-10-6-4-7-11-17/h5,8-9,12-13,15-17,19-20,24H,4,6-7,10-11,14H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t16?,19-,20-/m0/s1