ethyl (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrobromide

Systemtic Name: ethyl (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrobromide Openeye Name: ethyl (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrobromide CAS Name: (2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid ethyl ester hydrobromide IUPAC Name: ethyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate hydrobromide Traditional Name: (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid ethyl ester hydrobromide Formula: C20H32BrCl2N3O3 MolecularWeight: 513.29638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(C(C)C)N.Br

Isomeric SMILES

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

InChI

InChI=1S/C20H31Cl2N3O3.BrH/c1-4-28-20(27)17(24-19(26)18(23)14(2)3)13-15-5-7-16(8-6-15)25(11-9-21)12-10-22;/h5-8,14,17-18H,4,9-13,23H2,1-3H3,(H,24,26);1H/t17-,18-;/m0./s1