(2S,3R)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[(2,3-Dihydroxybenzoyl)Amino]Pentanoyl]Amino]-3-Hydroxybutanoic Acid
[CAS# 143651-45-0]

Identification

• Name: (2S,3R)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[(2,3-Dihydroxybenzoyl)Amino]Pentanoyl]Amino]-3-Hydroxybutanoic Acid
• Synonyms: (2S,3R)-2-[[(2S)-2-[(2,3-Dihydroxybenzoyl)Amino]-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[(2S)-2-[[(2,3-Dihydroxyphenyl)-Oxomethyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[(2S)-2-[(2,3-Dihydroxybenzoyl)Amino]-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₁₇H₂₅N₅O₇
• Molecular Weight: 411.41
• CAS Registry Number: 143651-45-0
• SMILES: [C@H](NC(=O)C1=C(O)C(=CC=C1)O)(CCCN=C(N)N)C(=O)N[C@@H]([C@H](O)C)C(O)=O
• InChI: 1S/C17H25N5O7/c1-8(23)12(16(28)29)22-15(27)10(5-3-7-20-17(18)19)21-14(26)9-4-2-6-11(24)13(9)25/h2,4,6,8,10,12,23-25H,3,5,7H2,1H3,(H,21,26)(H,22,27)(H,28,29)(H4,18,19,20)/t8-,10+,12+/m1/s1
• InChIKey: RYFDAFYFFUVLNW-QRTLGDNMSA-N

Properties

• Density: 1.55g/cm³ (Cal.)