(2S)-2-[[(2S)-1-[6-Amino-2-[[(1R)-1-Amino-2-Hydroxypropyl]Carbamoyl]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
[CAS# 136981-77-6]

Identification

• Name: (2S)-2-[[(2S)-1-[6-Amino-2-[[(1R)-1-Amino-2-Hydroxypropyl]Carbamoyl]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[6-Amino-2-[[(1R)-1-Amino-2-Hydroxy-Propyl]Carbamoyl]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[[(2S)-1-[6-Amino-2-[[[(1R)-1-Amino-2-Hydroxypropyl]Amino]-Oxomethyl]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-1-[6-Amino-2-[[(1R)-1-Amino-2-Hydroxy-Propyl]Carbamoyl]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₁H₄₀N₈O₆
• Molecular Weight: 500.60
• CAS Registry Number: 136981-77-6
• SMILES: [C@@H]1(N(CCC1)C(=O)C(CCCCN)C(=O)N[C@@H](N)C(O)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C21H40N8O6/c1-12(30)16(23)28-17(31)13(6-2-3-9-22)19(33)29-11-5-8-15(29)18(32)27-14(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+/m0/s1
• InChIKey: VZTVXNGXZIXDPC-SVXVCFNTSA-N

Properties

• Density: 1.487g/cm³ (Cal.)