N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenylbenzeneacetamide 2,2,2-trifluoroacetate (1:1)
CAS Registry Number®
191868-14-1
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CAS Name
N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenylbenzeneacetamide 2,2,2-trifluoroacetate (1:1)Molecular Formula
C29H35N7O3.C2HF3O2Cite this Page
N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenylbenzeneacetamide 2,2,2-trifluoroacetate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=191868-14-1 (retrieved ) (CAS RN: 191868-14-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
>60 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C29H35N7O3.C2HF3O2/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39);(H,6,7)/t24-;/m1./s1
InChIKey
InChIKey=FBMCYYWIBYEOST-GJFSDDNBSA-N
SMILES
C(C(N[C@@H](C(NCC1=CC=C(CNC(N)=O)C=C1)=O)CCCNC(=N)N)=O)(C2=CC=CC=C2)C3=CC=CC=C3.C(C(O)=O)(F)(F)F
Canonical SMILES
O=C(N)NCC1=CC=C(C=C1)CNC(=O)C(NC(=O)C(C=2C=CC=CC2)C=3C=CC=CC3)CCCNC(=N)N.O=C(O)C(F)(F)F
Other Names for this Substance
- Benzeneacetamide, N-[(1R)-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-, 2,2,2-trifluoroacetate (1:1)
- Benzeneacetamide, N-[1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-, (R)-, mono(trifluoroacetate)
- Benzeneacetamide, N-[(1R)-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-, mono(trifluoroacetate)
- N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenylbenzeneacetamide 2,2,2-trifluoroacetate (1:1)
- BIBO 3304
