(2S)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-Hydroxy-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]Pentanoyl]Amino]Butanediamide
[CAS# 129536-35-2]

Identification

• Name: (2S)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-Hydroxy-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]Pentanoyl]Amino]Butanediamide
• Synonyms: (2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-Hydroxy-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Pentanoyl]Amino]Butanediamide; (2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-Hydroxy-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxopentyl]Amino]Butanediamide; (2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-Hydroxy-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Pentanoyl]Amino]Succinamide
• Molecular Formula: C₂₅H₄₀N₈O₆
• Molecular Weight: 548.64
• CAS Registry Number: 129536-35-2
• SMILES: [C@H](NC(=O)[C@@H](O)CC1=CC=CC=C1)(CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N
• InChI: 1S/C25H40N8O6/c1-14(2)11-18(33-24(39)19(34)12-15-7-4-3-5-8-15)23(38)31-16(9-6-10-30-25(28)29)22(37)32-17(21(27)36)13-20(26)35/h3-5,7-8,14,16-19,34H,6,9-13H2,1-2H3,(H2,26,35)(H2,27,36)(H,31,38)(H,32,37)(H,33,39)(H4,28,29,30)/t16-,17-,18-,19-/m0/s1
• InChIKey: VBBCPCFOGODDDM-VJANTYMQSA-N
• Protein Sequence: L-β-Phenyllactoyl-Leu-Arg-Asn-NH2 · HCl

Properties

• Density: 1.393g/cm³ (Cal.)