(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
[CAS# 112592-90-2]

Identification

• Name: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₁H₄₀N₈O₆
• Molecular Weight: 500.60
• CAS Registry Number: 112592-90-2
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13+,14+,15+,16+/m1/s1
• InChIKey: IESDGNYHXIOKRW-YXMSTPNBSA-N

Properties

• Density: 1.487g/cm³ (Cal.)