3-[[5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-2-phenylmethoxy-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-2-phenylmethoxy-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[2-benzyloxy-5-[5-(tert-butoxycarbonylamino)pentanoylamino]benzoyl]amino]propanoic acid CAS Name: 3-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-2-phenylmethoxyphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-2-phenylmethoxybenzoyl]amino]propanoic acid Traditional Name: 3-[[2-benzoxy-5-[5-(tert-butoxycarbonylamino)pentanoylamino]benzoyl]amino]propionic acid Formula: C27H35N3O7 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(=O)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(=O)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C27H35N3O7/c1-27(2,3)37-26(35)29-15-8-7-11-23(31)30-20-12-13-22(36-18-19-9-5-4-6-10-19)21(17-20)25(34)28-16-14-24(32)33/h4-6,9-10,12-13,17H,7-8,11,14-16,18H2,1-3H3,(H,28,34)(H,29,35)(H,30,31)(H,32,33)