(2S)-1-[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 131837-03-1]

Identification

• Name: (2S)-1-[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Proline
• Molecular Formula: C₁₆H₂₈N₆O₆
• Molecular Weight: 400.43
• CAS Registry Number: 131837-03-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)CCCN=C(N)N)C(O)=O
• InChI: 1S/C16H28N6O6/c17-9(5-6-12(23)24)13(25)21-10(3-1-7-20-16(18)19)14(26)22-8-2-4-11(22)15(27)28/h9-11H,1-8,17H2,(H,21,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,11-/m0/s1
• InChIKey: VPKBCVUDBNINAH-DCAQKATOSA-N

Properties

• Density: 1.565g/cm³ (Cal.)