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

Systemtic Name: (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]azaniumyl]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]ammonio]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]ammonio]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]azaniumyl]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]ammonio]-3-phenyl-propionate Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C[NH2+]C(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[NH2+][C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C23H30N2O4/c1-23(2,3)29-22(28)25-19(14-17-10-6-4-7-11-17)16-24-20(21(26)27)15-18-12-8-5-9-13-18/h4-13,19-20,24H,14-16H2,1-3H3,(H,25,28)(H,26,27)/t19-,20-/m0/s1