6-azanyl-2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O6/c1-20(2,3)29-19(28)23-16(12-13-7-9-14(24)10-8-13)17(25)22-15(18(26)27)6-4-5-11-21/h7-10,15-16,24H,4-6,11-12,21H2,1-3H3,(H,22,25)(H,23,28)(H,26,27)