(3S)-3-[[2-[[(E,2S)-2-Amino-5-(Diaminomethylideneamino)Pent-3-Enoyl]Amino]Acetyl]Amino]-4-Oxo-4-[[(1S)-2-Oxo-1-Phenylethyl]Amino]Butanoic Acid
[CAS# 141261-62-3]

Identification

• Name: (3S)-3-[[2-[[(E,2S)-2-Amino-5-(Diaminomethylideneamino)Pent-3-Enoyl]Amino]Acetyl]Amino]-4-Oxo-4-[[(1S)-2-Oxo-1-Phenylethyl]Amino]Butanoic Acid
• Synonyms: (3S)-3-[[2-[[(E,2S)-2-Amino-5-Guanidino-Pent-3-Enoyl]Amino]Acetyl]Amino]-4-Oxo-4-[[(1S)-2-Oxo-1-Phenyl-Ethyl]Amino]Butanoic Acid; (3S)-3-[[2-[[(E,2S)-2-Amino-5-Guanidino-1-Oxopent-3-Enyl]Amino]-1-Oxoethyl]Amino]-4-Oxo-4-[[(1S)-2-Oxo-1-Phenylethyl]Amino]Butanoic Acid; (3S)-3-[[2-[[(E,2S)-2-Amino-5-Guanidino-Pent-3-Enoyl]Amino]Acetyl]Amino]-4-Keto-4-[[(1S)-2-Keto-1-Phenyl-Ethyl]Amino]Butyric Acid
• Molecular Formula: C₂₀H₂₇N₇O₆
• Molecular Weight: 461.48
• CAS Registry Number: 141261-62-3
• SMILES: [C@H](NC(=O)CNC(=O)[C@@H](N)\C=C\CN=C(N)N)(CC(O)=O)C(=O)N[C@@H](C1=CC=CC=C1)C=O
• InChI: 1S/C20H27N7O6/c21-13(7-4-8-24-20(22)23)18(32)25-10-16(29)26-14(9-17(30)31)19(33)27-15(11-28)12-5-2-1-3-6-12/h1-7,11,13-15H,8-10,21H2,(H,25,32)(H,26,29)(H,27,33)(H,30,31)(H4,22,23,24)/b7-4+/t13-,14-,15+/m0/s1
• InChIKey: XVEZVWHFWXVGBZ-WVRFHGKMSA-N

Properties

• Density: 1.448g/cm³ (Cal.)