(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-(Diaminomethylideneamino)-2-[(2-Methylaminoacetyl)Amino]Pentanoyl]Amino]Acetyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-3-Hydroxypropanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 133525-11-8]

Identification

• Name: (2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-(Diaminomethylideneamino)-2-[(2-Methylaminoacetyl)Amino]Pentanoyl]Amino]Acetyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-3-Hydroxypropanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-Guanidino-2-[(2-Methylaminoacetyl)Amino]Pentanoyl]Amino]Acetyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-Guanidino-2-[(2-Methylamino-1-Oxoethyl)Amino]-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-Guanidino-2-(Sarcosylamino)Pentanoyl]Amino]Acetyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Proline
• Molecular Formula: C₂₃H₃₉N₉O₁₀
• Molecular Weight: 601.62
• CAS Registry Number: 133525-11-8
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC)CCCN=C(N)N)CC(O)=O)CO)C(O)=O
• InChI: 1S/C23H39N9O10/c1-26-9-16(34)29-12(4-2-6-27-23(24)25)19(38)28-10-17(35)30-13(8-18(36)37)20(39)31-14(11-33)21(40)32-7-3-5-15(32)22(41)42/h12-15,26,33H,2-11H2,1H3,(H,28,38)(H,29,34)(H,30,35)(H,31,39)(H,36,37)(H,41,42)(H4,24,25,27)/t12-,13-,14-,15-/m0/s1
• InChIKey: KYOPEKNSPWYXTK-AJNGGQMLSA-N

Properties

• Density: 1.591g/cm³ (Cal.)