(3S)-3-(3,3-dimethylpentylazaniumyl)-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-(3,3-dimethylpentylazaniumyl)-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-4-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-(3,3-dimethylpentylammonio)-4-oxo-butanoate CAS Name: (3S)-3-(3,3-dimethylpentylammonio)-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate IUPAC Name: (3S)-3-(3,3-dimethylpentylazaniumyl)-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1R)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-(3,3-dimethylpentylammonio)-4-keto-butyrate Formula: C21H32N2O5 MolecularWeight: 392.48918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC[NH2+]C(CC(=O)[O-])C(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCC(C)(C)CC[NH2+][C@@H](CC(=O)[O-])C(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C21H32N2O5/c1-5-21(2,3)11-12-22-16(14-18(24)25)19(26)23-17(20(27)28-4)13-15-9-7-6-8-10-15/h6-10,16-17,22H,5,11-14H2,1-4H3,(H,23,26)(H,24,25)/t16-,17+/m0/s1