(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-Hydroxyphenyl)Prop-2-Enoyl]Amino]-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Pentanoic Acid
[CAS# 161258-31-7]

Identification

• Name: (2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-Hydroxyphenyl)Prop-2-Enoyl]Amino]-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Pentanoic Acid
• Synonyms: (2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-Hydroxyphenyl)Prop-2-Enoyl]Amino]-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Pentanoic Acid; (2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-Hydroxyphenyl)-1-Oxoprop-2-Enyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxopropyl]Amino]Pentanoic Acid; (2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-Hydroxyphenyl)Acryloyl]Amino]-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Valeric Acid
• Molecular Formula: C₂₇H₃₄N₆O₆
• Molecular Weight: 538.60
• CAS Registry Number: 161258-31-7
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C=C\C1=CC=CC=C1O)CC2=CC=CC=C2)C)(CCCN=C(N)N)C(O)=O
• InChI: 1S/C27H34N6O6/c1-17(24(36)33-20(26(38)39)11-7-15-30-27(28)29)31-25(37)21(16-18-8-3-2-4-9-18)32-23(35)14-13-19-10-5-6-12-22(19)34/h2-6,8-10,12-14,17,20-21,34H,7,11,15-16H2,1H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39)(H4,28,29,30)/b14-13+/t17-,20-,21-/m0/s1
• InChIKey: OGMHCXCIZDQLCI-GJOZUPAOSA-N

Properties

• Density: 1.331g/cm³ (Cal.)