IUPAC Name
2-[(9R,12S,18S)-9-benzyl-18-[3-(diaminomethylideneamino)propyl]-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentazaspiro[5.14]icosan-12-yl]acetic acid
Synonyms
EMD 270179; RonaCare Cyclopeptide 5; Cyclo(1-aminocyclohexanecarbonyl-L-arginylglycyl-L-α-aspartyl-D-phenylalanyl); Cyclotetrapeptide-24 aminocyclohexane carboxylate; 2-((9R,12S,18S)-9-benzyl-18-(3-guanidinopropyl)-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentaazaspiro[5.14]icosan-12-yl)acetic acid
Sequence
cyclo[Ac6c-Arg-Gly-Asp-D-Phe]
InChI
InChI=1S/C28H40N8O7/c29-27(30)31-13-7-10-18-23(40)32-16-21(37)33-20(15-22(38)39)24(41)34-19(14-17-8-3-1-4-9-17)25(42)36-28(26(43)35-18)11-5-2-6-12-28/h1,3-4,8-9,18-20H,2,5-7,10-16H2,(H,32,40)(H,33,37)(H,34,41)(H,35,43)(H,36,42)(H,38,39)(H4,29,30,31)/t18-,19+,20-/m0/s1
InChI Key
ROFCWWUBJHHVGZ-ZCNNSNEGSA-N
Canonical SMILES
C1CCC2(CC1)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCN=C(N)N
