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

Systemtic Name: 2-[[(2S)-4-cyclohexyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]propanoic acid Openeye Name: 2-[[(1S)-3-cyclohexyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]amino]propanoic acid CAS Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-4-cyclohexyl-1-oxobutan-2-yl]amino]propanoic acid IUPAC Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-4-cyclohexyl-1-oxobutan-2-yl]amino]propanoic acid Traditional Name: 2-[[(1S)-3-cyclohexyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]amino]propionic acid Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCC2CCCCC2)NC(C)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](CCC2CCCCC2)NC(C)C(=O)O

InChI

InChI=1S/C25H39N3O4/c1-17(2)16-22(24(30)27-20-12-8-5-9-13-20)28-23(29)21(26-18(3)25(31)32)15-14-19-10-6-4-7-11-19/h5,8-9,12-13,17-19,21-22,26H,4,6-7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/t18?,21-,22-/m0/s1