CAS No. 188968-51-6

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Product Information

Chemical Formula: C27H40N8O7
Molecular Weight:588.66
Synonyms:2-[(2S,5R,8S,11S)-5-Benzyl-11-[3-(Diaminomethylideneamino)Propyl]-7-Methyl-3,6,9,12,15-Pentaoxo-8-Propan-2-Yl-1,4,7,10,13-Pentazacyclopentadec-2-Yl]Acetic Acid; Cyclo(L-Arginylglycyl-L-Aspartyl-D-Phenylalanyl-N-Methyl-L-Valyl); Cilengitide; Cilengitide(Emd121974,Nsc-707544); Nsc 707544; Cilengitide, >=98%; Cyclo(Arg-Gly-Asp-D-Phe-N-Me-Val); C(Rgdf(Nme)V)
MDL No.:MFCD04307743
EINECS / EC No.:N/A
Pubchem CID:176873
IUPAC Name:2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Standard InchI:InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
InchI Key:AMLYAMJWYAIXIA-VWNVYAMZSA-N
SMILES:CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N
Appearance:-
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):1.41 g/cm3
Refractive Index:1.643

Safety Information

Signal Word: Warning
Hazard Statements:H302
Precautionary Statements:P280-P305 P351 P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07