3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-propyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-propyl]amino]propanoic acid Openeye Name: 2-[[3-(tert-butoxycarbonylamino)-2-oxo-propyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]propanoic acid Traditional Name: 2-[[3-(tert-butoxycarbonylamino)-2-keto-propyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)CNC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)CNC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C19H25N3O5/c1-19(2,3)27-18(26)22-11-13(23)10-21-16(17(24)25)8-12-9-20-15-7-5-4-6-14(12)15/h4-7,9,16,20-21H,8,10-11H2,1-3H3,(H,22,26)(H,24,25)