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

Systemtic Name: 2-azaniumylethyl-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: 2-azaniumylethyl-[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-(2-azaniumylethyl)azanium Traditional Name: 2-ammonioethyl-[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]ammonium Formula: C19H34N4O2+2 MolecularWeight: 350.49886

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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+]CC[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](C(C)C)[NH2+]CC[NH3+]

InChI

InChI=1S/C19H32N4O2/c1-13(2)12-16(18(24)22-15-8-6-5-7-9-15)23-19(25)17(14(3)4)21-11-10-20/h5-9,13-14,16-17,21H,10-12,20H2,1-4H3,(H,22,24)(H,23,25)/p+2/t16-,17-/m0/s1