2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-pentylbenzimidazol-2-yl)propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-pentylbenzimidazol-2-yl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1-pentylbenzimidazol-2-yl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-pentyl-2-benzimidazolyl)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-pentylbenzimidazol-2-yl)propanoic acid Traditional Name: 3-(1-amylbenzimidazol-2-yl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O4/c1-5-6-9-12-23-16-11-8-7-10-14(16)21-17(23)13-15(18(24)25)22-19(26)27-20(2,3)4/h7-8,10-11,15H,5-6,9,12-13H2,1-4H3,(H,22,26)(H,24,25)