2-cyanoethyl-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: 2-cyanoethyl-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: 2-cyanoethyl-[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]ammonium CAS Name: [(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-(2-cyanoethyl)ammonium IUPAC Name: [(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-(2-cyanoethyl)azanium Traditional Name: 2-cyanoethyl-[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]ammonium Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(C(C)C)[NH2+]CCC#N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](C(C)C)[NH2+]CCC#N

InChI

InChI=1S/C20H30N4O2/c1-14(2)13-17(19(25)23-16-9-6-5-7-10-16)24-20(26)18(15(3)4)22-12-8-11-21/h5-7,9-10,14-15,17-18,22H,8,12-13H2,1-4H3,(H,23,25)(H,24,26)/p+1/t17-,18-/m0/s1