Threonyl-methionyl-argininyl-lysyl-prolyl-arginyl-seryl-glycyl-asparaginyl-prolyl-aspartyl-valyl-alanyl-asparagine
[CAS# 132116-62-2]

Identification

• Name: Threonyl-methionyl-argininyl-lysyl-prolyl-arginyl-seryl-glycyl-asparaginyl-prolyl-aspartyl-valyl-alanyl-asparagine
• Synonyms: (3S)-3-[[(2S)-1-[(2S)-4-Amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Acetyl]Amino]-4-Keto-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-4-[[(1S)-1-[[(1S)-2-[[(1S)-3-Amino-1-Carboxy-3-Keto-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-4-Keto-Butyric Acid; L-Asparagine, L-Threonyl-L-Methionyl-L-Arginyl-L-Lysyl-L-Propyl-L-Arginyl-L-Serylglycyl-L-Asparaginyl-L-Prolyl-L-Alpha-Aspartyl-L-Valyl-L-Alanyl-; L-Threonyl-L-Methionyl-L-Arginyl-L-Lysyl-L-Propyl-L-Arginyl-L-Serylglycyl-L-Asparaginyl-L-Prolyl-L-Alpha-Aspartyl-L-Valyl-L-Alanyl-L-Asparagine
• Molecular Formula: C₆₂H₁₀₇N₂₃O₂₁S
• Molecular Weight: 1542.73
• CAS Registry Number: 132116-62-2
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCSC)CCCN=C(N)N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(O)=O)CC(=O)N)CO
• InChI: 1S/C62H107N23O21S/c1-29(2)47(57(102)74-30(3)48(93)81-38(60(105)106)25-43(65)89)83-53(98)36(26-45(91)92)80-55(100)41-16-11-22-85(41)59(104)37(24-42(64)88)75-44(90)27-73-49(94)39(28-86)82-51(96)33(14-9-20-72-62(69)70)77-54(99)40-15-10-21-84(40)58(103)35(12-6-7-18-63)79-50(95)32(13-8-19-71-61(67)68)76-52(97)34(17-23-107-5)78-56(101)46(66)31(4)87/h29-41,46-47,86-87H,6-28,63,66H2,1-5H3,(H2,64,88)(H2,65,89)(H,73,94)(H,74,102)(H,75,90)(H,76,97)(H,77,99)(H,78,101)(H,79,95)(H,80,100)(H,81,93)(H,82,96)(H,83,98)(H,91,92)(H,105,106)(H4,67,68,71)(H4,69,70,72)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,46-,47-/m0/s1
• InChIKey: BNIFSVVAHBLNTN-XKKUQSFHSA-N

Properties

• Density: 1.58g/cm³ (Cal.)