(2S,4R)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-5,5,5-tris(fluoranyl)-4-methyl-pentanoic acid

Systemtic Name: (2S,4R)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-5,5,5-tris(fluoranyl)-4-methyl-pentanoic acid Openeye Name: (2S,4R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5,5,5-trifluoro-4-methyl-pentanoic acid CAS Name: (2S,4R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-5,5,5-trifluoro-4-methylpentanoic acid IUPAC Name: (2S,4R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5,5,5-trifluoro-4-methylpentanoic acid Traditional Name: (2S,4R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5,5,5-trifluoro-4-methyl-valeric acid Formula: C29H36F3N5O7 MolecularWeight: 623.62065

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)C(F)(F)F

Isomeric SMILES

C[C@H](C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)C(F)(F)F

InChI

InChI=1S/C29H36F3N5O7/c1-16(29(30,31)32)12-23(28(43)44)37-27(42)22(14-18-6-4-3-5-7-18)36-24(39)15-34-25(40)17(2)35-26(41)21(33)13-19-8-10-20(38)11-9-19/h3-11,16-17,21-23,38H,12-15,33H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t16-,17-,21+,22+,23+/m1/s1