(3S)-7-azanyl-3-[[(3S)-3-azanylbutanoyl]amino]heptanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3S)-7-azanyl-3-[[(3S)-3-azanylbutanoyl]amino]heptanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (3S)-7-amino-3-[[(3S)-3-amino-1-oxobutyl]amino]heptanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]enanthic acid; 2,2,2-trifluoroacetic acid Formula: C15H25F6N3O7 MolecularWeight: 473.365319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CCCCN)CC(=O)O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C[C@@H](CC(=O)N[C@@H](CCCCN)CC(=O)O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H23N3O3.2C2HF3O2/c1-8(13)6-10(15)14-9(7-11(16)17)4-2-3-5-12;2*3-2(4,5)1(6)7/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17);2*(H,6,7)/t8-,9-;;/m0../s1