3-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 3-azanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 3-amino-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)octanoic acid CAS Name: 3-amino-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 3-amino-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)caprylic acid Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(CC(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(CC(=O)O)N

InChI

InChI=1S/C21H33N3O6/c1-21(2,3)30-20(28)24-17(16(22)13-18(25)26)11-7-8-12-23-19(27)29-14-15-9-5-4-6-10-15/h4-6,9-10,16-17H,7-8,11-14,22H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)