4-methyl-2-[[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-phenyl-propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-phenyl-propanoyl]amino]pentanoic acid Openeye Name: 2-[[2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-phenylpropanoyl]amino]pentanoic acid Traditional Name: 2-[[2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C26H41N3O6 MolecularWeight: 491.62024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H41N3O6/c1-18(2)16-21(24(32)33)29-23(31)20(17-19-12-8-6-9-13-19)28-22(30)14-10-7-11-15-27-25(34)35-26(3,4)5/h6,8-9,12-13,18,20-21H,7,10-11,14-17H2,1-5H3,(H,27,34)(H,28,30)(H,29,31)(H,32,33)