2-[[(2S)-3-cyclohexyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[(2S)-3-cyclohexyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 2-[[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]ethyl]amino]propionic acid Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2CCCCC2)NC(C)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](CC2CCCCC2)NC(C)C(=O)O

InChI

InChI=1S/C24H37N3O4/c1-16(2)14-20(22(28)26-19-12-8-5-9-13-19)27-23(29)21(25-17(3)24(30)31)15-18-10-6-4-7-11-18/h5,8-9,12-13,16-18,20-21,25H,4,6-7,10-11,14-15H2,1-3H3,(H,26,28)(H,27,29)(H,30,31)/t17?,20-,21-/m0/s1