methyl (2S)-2-[[(2R)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methyl-butanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl (2S)-2-[[(2R)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methyl-butanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methyl-butanoate; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methyl-butyric acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C21H30Cl2F3N3O5 MolecularWeight: 532.38121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H29Cl2N3O3.C2HF3O2/c1-13(2)17(19(26)27-3)23-18(25)16(22)12-14-4-6-15(7-5-14)24(10-8-20)11-9-21;3-2(4,5)1(6)7/h4-7,13,16-17H,8-12,22H2,1-3H3,(H,23,25);(H,6,7)/t16-,17+;/m1./s1