(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]-N-[3-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl]pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]-N-[3-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl]pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]-N-[3-[(9,10-dioxo-1-anthryl)amino]propyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]-N-[3-[(9,10-dioxo-1-anthracenyl)amino]propyl]-2-pyrrolidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]-N-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]-N-[3-[(9,10-diketo-1-anthryl)amino]propyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C45H55F3N6O9 MolecularWeight: 880.94821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NCCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(=O)C(CC5=CC=C(C=C5)O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(=O)[C@H](CC5=CC=C(C=C5)O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C43H54N6O7.C2HF3O2/c1-25(2)22-34(47-40(53)32(44)24-27-15-17-28(50)18-16-27)41(54)48-35(23-26(3)4)43(56)49-21-8-14-36(49)42(55)46-20-9-19-45-33-13-7-12-31-37(33)39(52)30-11-6-5-10-29(30)38(31)51;3-2(4,5)1(6)7/h5-7,10-13,15-18,25-26,32,34-36,45,50H,8-9,14,19-24,44H2,1-4H3,(H,46,55)(H,47,53)(H,48,54);(H,6,7)/t32-,34-,35-,36-;/m0./s1