(2S)-1-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoyl]-N-[2-[[4-[bis(2-chloroethyl)amino]phenyl]amino]ethanoyl]pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-1-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoyl]-N-[2-[[4-[bis(2-chloroethyl)amino]phenyl]amino]ethanoyl]pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-1-[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (2S)-1-[2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-N-[2-[4-[bis(2-chloroethyl)amino]anilino]-1-oxoethyl]-2-pyrrolidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-1-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-1-[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C27H39Cl2F3N6O6 MolecularWeight: 671.53637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(=O)CNC2=CC=C(C=C2)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(=O)CNC2=CC=C(C=C2)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C25H38Cl2N6O4.C2HF3O2/c1-17(2)14-20(28)24(36)30-16-23(35)33-11-3-4-21(33)25(37)31-22(34)15-29-18-5-7-19(8-6-18)32(12-9-26)13-10-27;3-2(4,5)1(6)7/h5-8,17,20-21,29H,3-4,9-16,28H2,1-2H3,(H,30,36)(H,31,34,37);(H,6,7)/t20-,21-;/m0./s1