methyl (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H23ClN4O5 MolecularWeight: 350.79852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)N(CCCl)N=O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C13H23ClN4O5/c1-8(2)7-10(12(20)23-4)16-11(19)9(3)15-13(21)18(17-22)6-5-14/h8-10H,5-7H2,1-4H3,(H,15,21)(H,16,19)/t9-,10-/m0/s1