16141-18-7 Purity
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Specification
The molecular formula of Cyclo(arg-gly-asp-D-phe-lys) is C27H41N9O7.
The molecular weight of Cyclo(arg-gly-asp-D-phe-lys) is 603.7 g/mol.
The IUPAC name of Cyclo(arg-gly-asp-D-phe-lys) is 2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid.
The InChIKey of Cyclo(arg-gly-asp-D-phe-lys) is NVHPXYIRNJFKTE-HAGHYFMRSA-N.
The Canonical SMILES of Cyclo(arg-gly-asp-D-phe-lys) is C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=CC=C2)CC(=O)O.
The CAS number of Cyclo(arg-gly-asp-D-phe-lys) is 161552-03-0.
There are 9 hydrogen bond donor counts in Cyclo(arg-gly-asp-D-phe-lys).
The topological polar surface area of Cyclo(arg-gly-asp-D-phe-lys) is 273 Å2.
There are 4 defined atom stereocenters in Cyclo(arg-gly-asp-D-phe-lys).
The complexity value of Cyclo(arg-gly-asp-D-phe-lys) is 1010.