(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methylpentanoyl]Amino]-3-Methylbutanoyl]Amino]Hexanoyl]Amino]-3-Methylbutanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoyl]Amino]-3-Methylbutanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Amino]-3-Hydroxypropanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 75903-15-0]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methylpentanoyl]Amino]-3-Methylbutanoyl]Amino]Hexanoyl]Amino]-3-Methylbutanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoyl]Amino]-3-Methylbutanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Amino]-3-Hydroxypropanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxohexyl]Amino]-3-Methyl-1-Oxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-1-Oxohexyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₆₅H₁₂₂N₁₈O₁₄
• Molecular Weight: 1379.79
• CAS Registry Number: 75903-15-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)CO
• InChI: 1S/C65H122N18O14/c1-35(2)31-41(69)53(85)80-50(38(7)8)61(93)75-44(23-15-18-28-68)57(89)82-52(40(11)12)63(95)83-30-20-25-49(83)60(92)77-46(32-36(3)4)58(90)81-51(39(9)10)62(94)76-45(24-19-29-72-65(70)71)55(87)73-42(21-13-16-26-66)54(86)74-43(22-14-17-27-67)56(88)79-48(34-84)59(91)78-47(64(96)97)33-37(5)6/h35-52,84H,13-34,66-69H2,1-12H3,(H,73,87)(H,74,86)(H,75,93)(H,76,94)(H,77,92)(H,78,91)(H,79,88)(H,80,85)(H,81,90)(H,82,89)(H,96,97)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
• InChIKey: YCTFGCQXUFQSBK-SVENNQHVSA-N

Properties

• Density: 1.328g/cm³ (Cal.)