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

Systemtic Name: butyl-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: butyl-[(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]-butylammonium IUPAC Name: [(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-butylazanium Traditional Name: butyl-[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]propyl]ammonium Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C(C)C)C(=O)NC(CC(C)C)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCC[NH2+][C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C21H35N3O2/c1-6-7-13-22-19(16(4)5)21(26)24-18(14-15(2)3)20(25)23-17-11-9-8-10-12-17/h8-12,15-16,18-19,22H,6-7,13-14H2,1-5H3,(H,23,25)(H,24,26)/p+1/t18-,19-/m0/s1