Catalog Number:
AG00BJ8L
Chemical Name:
Cyclic Arg-Gly-Asp-D-Tyr-Lys
CAS Number:
250612-42-1
Molecular Formula:
C31H43F6N9O12
Molecular Weight:
847.7166
MDL Number:
MFCD20134101
IUPAC Name:
2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C27H41N9O8.2C2HF3O2/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15;2*3-2(4,5)1(6)7/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31);2*(H,6,7)/t17-,18-,19+,20-;;/m0../s1
InChI Key:
CDDUWKKOPQABPG-TVSMIREGSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCNC(=N)N)CC(=O)O
