(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-pyren-1-ylethanoylamino)propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-pyren-1-ylethanoylamino)propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-[(2-pyren-1-ylacetyl)amino]propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[1-oxo-2-(1-pyrenyl)ethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-pyren-1-ylacetyl)amino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[(2-pyren-1-ylacetyl)amino]propionic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CNC(=O)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CNC(=O)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)O

InChI

InChI=1S/C26H26N2O5/c1-26(2,3)33-25(32)28-20(24(30)31)14-27-21(29)13-18-10-9-17-8-7-15-5-4-6-16-11-12-19(18)23(17)22(15)16/h4-12,20H,13-14H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)/t20-/m0/s1