Allomalformin
[CAS# 83638-83-9]

Identification

• Name: Allomalformin
• Synonyms: (2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Thioxo-Propanoyl]Amino]-3-Thioxo-Propanoyl]Amino]-N-[(1R)-1-[[(1S)-1-Formyl-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]-3-Methyl-Pentanamide; (2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxo-3-Thioxopropyl]Amino]-1-Oxo-3-Thioxopropyl]Amino]-N-[(1R)-1-[[[(1S)-1-Formyl-2-Methylpropyl]Amino]-Oxomethyl]-3-Methylbutyl]-3-Methylpentanamide; (2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Thioxo-Propanoyl]Amino]-3-Thioxo-Propanoyl]Amino]-N-[(1R)-1-[[(1S)-1-Formyl-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]-3-Methyl-Valeramide
• Molecular Formula: C₂₃H₃₉N₅O₅S₂
• Molecular Weight: 529.71
• CAS Registry Number: 83638-83-9
• SMILES: [C@H](C=O)(NC([C@H](NC([C@@H](NC([C@H](NC([C@H](N)C=S)=O)C=S)=O)[C@H](CC)C)=O)CC(C)C)=O)C(C)C
• InChI: 1S/C23H39N5O5S2/c1-7-14(6)19(28-22(32)18(11-35)27-20(30)15(24)10-34)23(33)25-16(8-12(2)3)21(31)26-17(9-29)13(4)5/h9-19H,7-8,24H2,1-6H3,(H,25,33)(H,26,31)(H,27,30)(H,28,32)/t14-,15+,16+,17+,18+,19-/m0/s1
• InChIKey: SGUCVZMBOWPXNV-BVPSZOQCSA-N

Properties

• Density: 1.187g/cm³ (Cal.)