Acetyl-alanyl-alanyl-glutaminyl-lysyl-arginyl-prolyl-seryl-glutaminyl-arginyl-seryl-lysyl-tyrosinamide
[CAS# 141311-86-6]

Identification

• Name: Acetyl-alanyl-alanyl-glutaminyl-lysyl-arginyl-prolyl-seryl-glutaminyl-arginyl-seryl-lysyl-tyrosinamide
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoyl]Amino]-6-Amino-Hexanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-5-Amino-1-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]Pentyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Pentanediamide; (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-1,5-Dioxopentyl]Amino]-6-Amino-1-Oxohexyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-N-[(1S)-1-[[[(1S)-2-[[(1S)-5-Amino-1-[[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]Pentyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Pentanediamide; (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Keto-Pentanoyl]Amino]-6-Amino-Hexanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Hydroxy-Propanoyl]Amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-5-Amino-1-[[(1S)-2-Amino-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]Pentyl]Amino]-2-Keto-1-Methylol-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Glutaramide
• Molecular Formula: C₆₂H₁₀₅N₂₃O₁₈
• Molecular Weight: 1460.65
• CAS Registry Number: 141311-86-6
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)C)C)CCC(=O)N)CCCCN)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N)CO
• InChI: 1S/C62H105N23O18/c1-32(74-34(3)88)50(93)75-33(2)51(94)76-40(20-22-47(65)90)55(98)77-37(11-4-6-24-63)52(95)81-42(14-9-27-73-62(70)71)60(103)85-28-10-15-46(85)59(102)84-45(31-87)58(101)80-41(21-23-48(66)91)56(99)78-39(13-8-26-72-61(68)69)54(97)83-44(30-86)57(100)79-38(12-5-7-25-64)53(96)82-43(49(67)92)29-35-16-18-36(89)19-17-35/h16-19,32-33,37-46,86-87,89H,4-15,20-31,63-64H2,1-3H3,(H2,65,90)(H2,66,91)(H2,67,92)(H,74,88)(H,75,93)(H,76,94)(H,77,98)(H,78,99)(H,79,100)(H,80,101)(H,81,95)(H,82,96)(H,83,97)(H,84,102)(H4,68,69,72)(H4,70,71,73)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
• InChIKey: WGACMNAUEGCUHG-VYBOCCTBSA-N

Properties

• Density: 1.525g/cm³ (Cal.)