N²-Acetyl-L-Glutaminyl-L-Alanyl-L-Tryptophyl-L-Phenylalanyl-L-Isoleucyl-L-alpha-Glutamyl-L-Asparaginyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Glutaminyl-L-alpha-Glutamyl-L-Tyrosyl-L-Valyl-L-Glutaminyl- L-Threonyl-L-Valyl-L-Lysine
[CAS# 284040-76-2]

Identification

• Name: N²-Acetyl-L-Glutaminyl-L-Alanyl-L-Tryptophyl-L-Phenylalanyl-L-Isoleucyl-L-alpha-Glutamyl-L-Asparaginyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Glutaminyl-L-alpha-Glutamyl-L-Tyrosyl-L-Valyl-L-Glutaminyl- L-Threonyl-L-Valyl-L-Lysine
• Synonyms: Ac9-25
• Molecular Formula: C₉₉H₁₄₃N₂₃O₃₃
• Molecular Weight: 2183.33
• CAS Registry Number: 284040-76-2
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)C
• InChI: 1S/C99H143N23O33/c1-10-49(6)81(121-94(149)67(42-53-18-12-11-13-19-53)117-91(146)69(44-55-46-105-58-21-15-14-20-57(55)58)115-83(138)50(7)106-84(139)59(107-52(9)124)27-34-71(101)126)97(152)113-65(33-40-78(136)137)89(144)118-70(45-74(104)129)92(147)111-63(31-38-76(132)133)87(142)109-62(30-37-75(130)131)86(141)108-60(28-35-72(102)127)85(140)110-64(32-39-77(134)135)88(143)116-68(43-54-23-25-56(125)26-24-54)93(148)119-79(47(2)3)95(150)112-61(29-36-73(103)128)90(145)122-82(51(8)123)98(153)120-80(48(4)5)96(151)114-66(99(154)155)22-16-17-41-100/h11-15,18-21,23-26,46-51,59-70,79-82,105,123,125H,10,16-17,22,27-45,100H2,1-9H3,(H2,101,126)(H2,102,127)(H2,103,128)(H2,104,129)(H,106,139)(H,107,124)(H,108,141)(H,109,142)(H,110,140)(H,111,147)(H,112,150)(H,113,152)(H,114,151)(H,115,138)(H,116,143)(H,117,146)(H,118,144)(H,119,148)(H,120,153)(H,121,149)(H,122,145)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,154,155)/t49-,50-,51+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-,80-,81-,82-/m0/s1
• InChIKey: VWAGQOJTUDBVPD-ZONPJGGESA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 2439.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 1429.3±34.3°C (Cal.)
• Refractive index: 1.589 (Cal.)
• solubility: Soluble to 1 mg/ml in 20% acetonitrile / water