Chloroethylnitrosocarbamoyl-Alanyl-Alanine
[CAS# 93299-11-7]

Identification

• Name: Chloroethylnitrosocarbamoyl-Alanyl-Alanine
• Synonyms: (2S)-2-[[(2S)-2-[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]Propanoyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-[[(2-Chloroethyl-Nitrosoamino)-Oxomethyl]Amino]-1-Oxopropyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]Propanoyl]Amino
• Molecular Formula: C₉H₁₅ClN₄O₅
• Molecular Weight: 294.69
• CAS Registry Number: 93299-11-7
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(=O)N(N=O)CCCl)C)=O)C
• InChI: 1S/C9H15ClN4O5/c1-5(7(15)11-6(2)8(16)17)12-9(18)14(13-19)4-3-10/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)/t5-,6-/m0/s1
• InChIKey: ORIIFNMRPNZKHW-WDSKDSINSA-N

Properties

• Density: 1.5g/cm³ (Cal.)