2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-cyclohexyl-3-(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)imino-propan-2-yl]-1-oxidanylidene-pentan-1-amine oxide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-cyclohexyl-3-(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)imino-propan-2-yl]-1-oxidanylidene-pentan-1-amine oxide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-(cyclohexylmethyl)-2-(1-ethoxycarbonyl-2-methyl-propyl)imino-ethyl]-1-oxo-pentan-1-amine oxide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(3-methyl-1-oxobutyl)amino]-N-[1-cyclohexyl-3-(1-ethoxy-3-methyl-1-oxobutan-2-yl)iminopropan-2-yl]-1-oxo-1-pentanamine oxide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(3-methylbutanoyl)amino]-N-[1-cyclohexyl-3-(1-ethoxy-3-methyl-1-oxobutan-2-yl)iminopropan-2-yl]-1-oxopentan-1-amine oxide Traditional Name: N-[1-[(1-carbethoxy-2-methyl-propyl)iminomethyl]-2-cyclohexyl-ethyl]-2-[isovaleryl(phenylalanyl)amino]-1-keto-pentan-1-amine oxide Formula: C35H56N4O6 MolecularWeight: 628.84234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[NH+](C(CC1CCCCC1)C=NC(C(C)C)C(=O)OCC)[O-])N(C(=O)CC(C)C)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCC(C(=O)[NH+](C(CC1CCCCC1)C=NC(C(C)C)C(=O)OCC)[O-])N(C(=O)CC(C)C)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C35H56N4O6/c1-7-15-30(38(31(40)20-24(3)4)33(41)29(36)22-27-18-13-10-14-19-27)34(42)39(44)28(21-26-16-11-9-12-17-26)23-37-32(25(5)6)35(43)45-8-2/h10,13-14,18-19,23-26,28-30,32,39H,7-9,11-12,15-17,20-22,36H2,1-6H3