(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]azaniumyl]butanoate Openeye Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]ammonio]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]azaniumyl]butanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]ammonio]-3-methyl-butyrate Formula: C19H30N2O4 MolecularWeight: 350.4525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4/c1-13(2)16(17(22)23)20-12-15(11-14-9-7-6-8-10-14)21-18(24)25-19(3,4)5/h6-10,13,15-16,20H,11-12H2,1-5H3,(H,21,24)(H,22,23)/t15-,16-/m0/s1