(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5,5,5-tris(fluoranyl)pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5,5,5-tris(fluoranyl)pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5,5,5-trifluoro-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-5,5,5-trifluoro-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5,5,5-trifluoropentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5,5,5-trifluoro-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C30H38F3N5O7S MolecularWeight: 669.71223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38F3N5O7S/c1-46-14-12-23(29(44)45)37-28(43)24(16-18-5-3-2-4-6-18)38-27(42)22(11-13-30(31,32)33)36-25(40)17-35-26(41)21(34)15-19-7-9-20(39)10-8-19/h2-10,21-24,39H,11-17,34H2,1H3,(H,35,41)(H,36,40)(H,37,43)(H,38,42)(H,44,45)/t21-,22-,23-,24-/m0/s1