(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-3-Hydroxypropanoyl]Amino]Hexanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Methylpentanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoic Acid
[CAS# 106128-91-0]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-3-Hydroxypropanoyl]Amino]Hexanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Methylpentanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₆₂H₉₇N₁₅O₁₃
• Molecular Weight: 1260.54
• CAS Registry Number: 106128-91-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N2[C@@H](CCC2)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(O)=O)CO
• InChI: 1S/C62H97N15O13/c1-7-38(6)51(58(86)71-43(31-36(2)3)53(81)72-45(61(89)90)33-40-21-12-9-13-22-40)75-57(85)50(37(4)5)74-52(80)42(24-14-15-27-63)70-55(83)46(35-78)73-54(82)44(32-39-19-10-8-11-20-39)69-49(79)34-68-56(84)47-25-17-29-76(47)60(88)48-26-18-30-77(48)59(87)41(64)23-16-28-67-62(65)66/h8-13,19-22,36-38,41-48,50-51,78H,7,14-18,23-35,63-64H2,1-6H3,(H,68,84)(H,69,79)(H,70,83)(H,71,86)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,89,90)(H4,65,66,67)/t38-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1
• InChIKey: RWPCKNLLMVTTIH-JTZVBULTSA-N

Properties

• Density: 1.368g/cm³ (Cal.)