(3S)-3-[[(3S)-7-azanyl-3-[[(3R)-3-azanyl-4-oxidanyl-butanoyl]amino]heptanoyl]amino]-4-phenyl-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3S)-3-[[(3S)-7-azanyl-3-[[(3R)-3-azanyl-4-oxidanyl-butanoyl]amino]heptanoyl]amino]-4-phenyl-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3S)-3-[[(3S)-7-amino-3-[[(3R)-3-amino-4-hydroxy-butanoyl]amino]heptanoyl]amino]-4-phenyl-butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (3S)-3-[[(3S)-7-amino-3-[[(3R)-3-amino-4-hydroxy-1-oxobutyl]amino]-1-oxoheptyl]amino]-4-phenylbutanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (3S)-3-[[(3S)-7-amino-3-[[(3R)-3-amino-4-hydroxybutanoyl]amino]heptanoyl]amino]-4-phenylbutanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (3S)-3-[[(3S)-7-amino-3-[[(3R)-3-amino-4-hydroxy-butanoyl]amino]heptanoyl]amino]-4-phenyl-butyric acid; 2,2,2-trifluoroacetic acid Formula: C25H36F6N4O9 MolecularWeight: 650.565159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)O)NC(=O)CC(CCCCN)NC(=O)CC(CO)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)O)NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](CO)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H34N4O5.2C2HF3O2/c22-9-5-4-8-17(24-19(27)11-16(23)14-26)12-20(28)25-18(13-21(29)30)10-15-6-2-1-3-7-15;2*3-2(4,5)1(6)7/h1-3,6-7,16-18,26H,4-5,8-14,22-23H2,(H,24,27)(H,25,28)(H,29,30);2*(H,6,7)/t16-,17+,18+;;/m1../s1