(3S)-3-[[2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-4-Oxobutanoic Acid
[CAS# 123491-58-7]

Identification

• Name: (3S)-3-[[2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-4-Oxobutanoic Acid
• Synonyms: (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-4-[[(2S)-2-Amino-3-(4-Methoxyphenyl)-1-Oxopropyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₂H₃₄N₈O₇
• Molecular Weight: 522.56
• CAS Registry Number: 123491-58-7
• SMILES: [C@H](N)(CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC(=O)[C@@H](N)CC1=CC=C(OC)C=C1
• InChI: 1S/C22H34N8O7/c1-37-13-6-4-12(5-7-13)9-15(24)20(35)30-21(36)16(10-18(32)33)29-17(31)11-28-19(34)14(23)3-2-8-27-22(25)26/h4-7,14-16H,2-3,8-11,23-24H2,1H3,(H,28,34)(H,29,31)(H,32,33)(H4,25,26,27)(H,30,35,36)/t14-,15-,16-/m0/s1
• InChIKey: YAYLYOCENKWKIB-JYJNAYRXSA-N