Deoxypheganomycin D
[CAS# 69280-94-0]

Identification

• Name: Deoxypheganomycin D
• Synonyms: (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3,3-Dimethyl-Butanoyl]Amino]Hexanoyl]-[(2S)-4-Amino-2-[[(2S)-2-(3,5-Dihydroxy-4-Methyl-Phenyl)-2-Guanidino-Acetyl]Amino]-4-Oxo-Butanoyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxohexyl]-[(2S)-4-Amino-2-[[(2S)-2-(3,5-Dihydroxy-4-Methylphenyl)-2-Guanidino-1-Oxoethyl]Amino]-1,4-Dioxobutyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3,3-Dimethyl-Butanoyl]Amino]Hexanoyl]-[(2S)-4-Amino-2-[[(2S)-2-(3,5-Dihydroxy-4-Methyl-Phenyl)-2-Guanidino-Acetyl]Amino]-4-Keto-Butanoyl]Amino]Succinic Acid
• Molecular Formula: C₃₀H₄₇N₉O₁₁
• Molecular Weight: 709.76
• CAS Registry Number: 69280-94-0
• SMILES: [C@H](N)(C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CC(O)=O)C(O)=O)C(=O)[C@@H](NC(=O)[C@@H](N=C(N)N)C1=CC(=C(C(=C1)O)C)O)CC(=O)N
• InChI: 1S/C30H47N9O11/c1-13-18(40)9-14(10-19(13)41)22(38-29(34)35)24(45)37-16(11-20(32)42)27(48)39(17(28(49)50)12-21(43)44)26(47)15(7-5-6-8-31)36-25(46)23(33)30(2,3)4/h9-10,15-17,22-23,40-41H,5-8,11-12,31,33H2,1-4H3,(H2,32,42)(H,36,46)(H,37,45)(H,43,44)(H,49,50)(H4,34,35,38)/t15-,16-,17-,22-,23+/m0/s1
• InChIKey: JKRLNLPKBPUNDE-OLZZFSTQSA-N

Properties

• Density: 1.522g/cm³ (Cal.)