(2S)-2-[[(2S)-2-[[(3R)-3-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]oxyoctanoyl]amino]-3-(3-fluorophenyl)propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(3R)-3-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]oxyoctanoyl]amino]-3-(3-fluorophenyl)propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(3R)-3-[(2R,3S)-2-amino-3-methyl-pentanoyl]oxyoctanoyl]amino]-3-(3-fluorophenyl)propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(3R)-3-[(2R,3S)-2-amino-3-methyl-1-oxopentoxy]-1-oxooctyl]amino]-3-(3-fluorophenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(3R)-3-[(2R,3S)-2-amino-3-methylpentanoyl]oxyoctanoyl]amino]-3-(3-fluorophenyl)propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(3R)-3-[(2R,3S)-2-amino-3-methyl-pentanoyl]oxyoctanoyl]amino]-3-(3-fluorophenyl)propanoyl]amino]propionic acid Formula: C26H40FN3O6 MolecularWeight: 509.610703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC(CC1=CC(=CC=C1)F)C(=O)NC(C)C(=O)O)OC(=O)C(C(C)CC)N

Isomeric SMILES

CCCCC[C@H](CC(=O)N[C@@H](CC1=CC(=CC=C1)F)C(=O)N[C@@H](C)C(=O)O)OC(=O)[C@@H]([C@@H](C)CC)N

InChI

InChI=1S/C26H40FN3O6/c1-5-7-8-12-20(36-26(35)23(28)16(3)6-2)15-22(31)30-21(24(32)29-17(4)25(33)34)14-18-10-9-11-19(27)13-18/h9-11,13,16-17,20-21,23H,5-8,12,14-15,28H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)/t16-,17-,20+,21-,23+/m0/s1