(2S)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Hydroxy-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]-5-Oxopentanoyl]Amino]-3-Phenylpropyl]Amino]-3-Phenylpropanoyl]Amino]Pentanoyl]Amino]Pentanedioic Acid
[CAS# 100111-08-8]

Identification

• Name: (2S)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Hydroxy-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]-5-Oxopentanoyl]Amino]-3-Phenylpropyl]Amino]-3-Phenylpropanoyl]Amino]Pentanoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Hydroxy-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-3-Phenyl-Propyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Hydroxy-2-[[(2S,3R)-3-Hydroxy-1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Butyl]Amino]-1,5-Dioxopentyl]Amino]-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxopentyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Hydroxy-2-[[(2S,3R)-3-Hydroxy-2-(Prolylamino)Butanoyl]Amino]-5-Keto-Pentanoyl]Amino]-3-Phenyl-Propyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₄₃H₆₂N₁₀O₁₂
• Molecular Weight: 911.02
• CAS Registry Number: 100111-08-8
• SMILES: [C@@H]1(NCCC1)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CC3=CC=CC=C3)CCC(O)=O
• InChI: 1S/C43H62N10O12/c1-25(54)36(53-37(59)29-14-8-20-46-29)41(63)51-31(16-18-34(55)56)38(60)49-28(22-26-10-4-2-5-11-26)24-48-33(23-27-12-6-3-7-13-27)40(62)50-30(15-9-21-47-43(44)45)39(61)52-32(42(64)65)17-19-35(57)58/h2-7,10-13,25,28-33,36,46,48,54H,8-9,14-24H2,1H3,(H,49,60)(H,50,62)(H,51,63)(H,52,61)(H,53,59)(H,55,56)(H,57,58)(H,64,65)(H4,44,45,47)/t25-,28+,29+,30+,31+,32+,33+,36+/m1/s1
• InChIKey: WNWJVPXOYQRRNI-MVPDBZEZSA-N