(3S)-3-[[(2S)-3-methyl-2-[(2-oxidanylidene-2-phenylazanyl-ethanoyl)amino]butanoyl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-3-methyl-2-[(2-oxidanylidene-2-phenylazanyl-ethanoyl)amino]butanoyl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-[(2-anilino-2-oxo-acetyl)amino]-3-methyl-butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: (3S)-3-[[(2S)-2-[(2-anilino-1,2-dioxoethyl)amino]-3-methyl-1-oxobutyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[(2-anilino-2-oxoacetyl)amino]-3-methylbutanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[(2-anilino-2-keto-acetyl)amino]-3-methyl-butanoyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C24H23F4N3O7 MolecularWeight: 541.448933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C24H23F4N3O7/c1-11(2)20(31-24(37)23(36)29-12-6-4-3-5-7-12)22(35)30-15(9-17(33)34)16(32)10-38-21-18(27)13(25)8-14(26)19(21)28/h3-8,11,15,20H,9-10H2,1-2H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t15-,20-/m0/s1