(2S)-2-[[(3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[5-Amino-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]-3-Hydroxypropanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxypropanoyl]Amino]-5-Oxopentanoyl]Amino]-3-Hydroxybutanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Hydroxybutanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 74174-40-6]

Identification

• Name: (2S)-2-[[(3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[5-Amino-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxybutanoyl]Amino]-3-Hydroxypropanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxypropanoyl]Amino]-5-Oxopentanoyl]Amino]-3-Hydroxybutanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Hydroxybutanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[5-Amino-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(3R)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-[[5-Amino-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1,5-Dioxopentyl]Amino]-3-Hydroxy-1-Oxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[5-Amino-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Keto-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₅₆H₉₈N₁₄O₂₁
• Molecular Weight: 1303.47
• CAS Registry Number: 74174-40-6
• SMILES: [C@H](C(N1[C@H](C(N[C@H](C(N[C@H](C(NC(C(N[C@H](C(=O)O)CC(C)C)=O)[C@H](O)C)=O)C(C)C)=O)CC(C)C)=O)CCC1)=O)(NC(C(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@H](O)C)N)=O)CO)=O)CCC(=O)O)=O)CCCCN)=O)CO)=O)CCC(=O)N)=O)[C@H](O)C
• InChI: 1S/C56H98N14O21/c1-25(2)21-34(48(82)67-42(27(5)6)53(87)68-43(29(8)74)54(88)64-35(56(90)91)22-26(3)4)63-51(85)38-14-12-20-70(38)55(89)44(30(9)75)69-47(81)32(15-17-39(58)76)61-49(83)36(23-71)65-45(79)31(13-10-11-19-57)60-46(80)33(16-18-40(77)78)62-50(84)37(24-72)66-52(86)41(59)28(7)73/h25-38,41-44,71-75H,10-24,57,59H2,1-9H3,(H2,58,76)(H,60,80)(H,61,83)(H,62,84)(H,63,85)(H,64,88)(H,65,79)(H,66,86)(H,67,82)(H,68,87)(H,69,81)(H,77,78)(H,90,91)/t28-,29-,30-,31+,32?,33+,34+,35+,36+,37+,38+,41+,42+,43?,44+/m1/s1
• InChIKey: IBMGLBKMRBRJJT-YDKHIEAGSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 1742.906°C at 760 mmHg (Cal.)
• Flash point: 1007.873°C (Cal.)