(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Phenylpropanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Sulfanyl-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
[CAS# 78212-16-5]

Identification

• Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Phenylpropanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Sulfanyl-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Sulfanyl-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-1-Oxo-3-Phenylpropyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-5-[[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Thio]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-[[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Thio]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₆H₅₉N₁₅O₁₀S
• Molecular Weight: 894.02
• CAS Registry Number: 78212-16-5
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC1=CC=CC=C1)CCCN=C(N)N)(CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N(SC(=O)[C@@H](N)CCCN=C(N)N)CC(O)=O
• InChI: 1S/C36H59N15O10S/c1-20(52)47-26(18-21-8-3-2-4-9-21)31(59)49-23(11-6-16-45-35(40)41)29(57)48-24(12-7-17-46-36(42)43)30(58)50-25(13-14-27(53)54)32(60)51(19-28(55)56)62-33(61)22(37)10-5-15-44-34(38)39/h2-4,8-9,22-26H,5-7,10-19,37H2,1H3,(H,47,52)(H,48,57)(H,49,59)(H,50,58)(H,53,54)(H,55,56)(H4,38,39,44)(H4,40,41,45)(H4,42,43,46)/t22-,23-,24-,25-,26-/m0/s1
• InChIKey: CNLHUYQLRABYDJ-LROMGURASA-N

Properties

• Density: 1.519g/cm³ (Cal.)