(2R)-2-[[(2S)-2-[[(2R)-5-Amino-2-[[(2S,3R)-2-[[(2R)-5-Amino-2-[[(2S,4S)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-(Diaminomethylideneamino)-4-Hydroxypentanoyl]Amino]Pentanoyl]Amino]-3-Hydroxybutanoyl]Amino]Pentanoyl]Amino]-5-(Diaminomethylideneamino)-4-Hydroxypentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
[CAS# 74899-63-1]

Identification

• Name: (2R)-2-[[(2S)-2-[[(2R)-5-Amino-2-[[(2S,3R)-2-[[(2R)-5-Amino-2-[[(2S,4S)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-(Diaminomethylideneamino)-4-Hydroxypentanoyl]Amino]Pentanoyl]Amino]-3-Hydroxybutanoyl]Amino]Pentanoyl]Amino]-5-(Diaminomethylideneamino)-4-Hydroxypentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
• Synonyms: (2R)-2-[[(2S)-2-[[(2R)-5-Amino-2-[[(2S,3R)-2-[[(2R)-5-Amino-2-[[(2S,4S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-4-Hydroxy-Pentanoyl]Amino]Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Pentanoyl]Amino]-5-Guanidino-4-Hydroxy-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2R)-2-[[(2S)-2-[[(2R)-5-Amino-2-[[(2S,3R)-2-[[(2R)-5-Amino-2-[[(2S,4S)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-5-Guanidino-4-Hydroxy-1-Oxopentyl]Amino]-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxopentyl]Amino]-5-Guanidino-4-Hydroxy-1-Oxopentyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2R)-2-[[(2S)-2-[[(2R)-5-Amino-2-[[(2S,3R)-2-[[(2R)-5-Amino-2-[[(2S,4S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-4-Hydroxy-Pentanoyl]Amino]Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Pentanoyl]Amino]-5-Guanidino-4-Hydroxy-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid
• Molecular Formula: C₄₁H₇₄N₁₈O₁₂
• Molecular Weight: 1011.15
• CAS Registry Number: 74899-63-1
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C[C@H](O)CN=C(N)N)(CCCN)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CC(O)CN=C(N)N)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(O)=O
• InChI: 1S/C41H74N18O12/c1-20(60)31(59-34(66)27(7-3-13-43)54-35(67)28(16-23(62)18-52-40(47)48)56-32(64)25(44)5-4-14-51-39(45)46)37(69)55-26(6-2-12-42)33(65)57-29(17-24(63)19-53-41(49)50)36(68)58-30(38(70)71)15-21-8-10-22(61)11-9-21/h8-11,20,23-31,60-63H,2-7,12-19,42-44H2,1H3,(H,54,67)(H,55,69)(H,56,64)(H,57,65)(H,58,68)(H,59,66)(H,70,71)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t20-,23+,24?,25+,26-,27-,28+,29+,30-,31+/m1/s1
• InChIKey: QATCZNUORRNHKJ-NQMBLXEBSA-N

Properties

• Density: 1.579g/cm³ (Cal.)