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103213-49-6

Basic Information
CAS No.: 103213-49-6
Name: GLU-GLY-VAL-ASN-ASP-ASN-GLU-GLU-GLY-PHE-PHE-SER-ALA-ARG
Molecular Structure:
Molecular Structure of 103213-49-6 (GLU-GLY-VAL-ASN-ASP-ASN-GLU-GLU-GLY-PHE-PHE-SER-ALA-ARG)
Formula: C66H95N19O26
Molecular Weight: 1570.59
Synonyms: α-Glutamylglycylvalylasparaginyl-α-aspartylasparaginyl-α-glutamyl-α-glutamylglycylphenylalanylphenylalanylserylalanylarginine;110: PN: WO2008113030 SEQID: 111unclaimed sequence;11: PN: WO2005057221 PAGE: 17 unclaimed sequence;2: PN:WO2008106043 TABLE: 8 claimed protein;453: PN: WO0069900 SEQID: 1138 unclaimedsequence;49: PN: US20090311246 SEQID: 49 unclaimed sequence;62: PN: US6017693TABLE: 4 claimed sequence;892: PN: US20090175821 SEQID: 1138 claimed protein;[Glu1] Fibrinopeptide B, human;arginine, α-glutamylglycylvalylasparaginyl-α-aspartylasparaginyl-α-glutamyl-α-glutamylglycylphenylalanylphenylalanylserylalanyl-;
Density: 1.561 g/cm3
Solubility: Soluble in water at 1mg/ml
PSA: 759.13000
LogP: -1.42620
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Specification

The systematic name of Fibrinopeptide B(human), 1-L-glutamic acid- (9CI) is 4-amino-5-[[2-[[1-[[3-amino-1-[[1-[[3-amino-1-[[1-[[1-[[2-[[1-benzyl-2-[[1-benzyl-2-[[2-[[2-[(1-carboxy-4-guanidino-butyl)amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid. With the CAS registry number 103213-49-6, it is also named as Arginine, α-glutamylglycylvalylasparaginyl-α-aspartylasparaginyl-α-glutamyl-α-glutamylglycylphenylalanylphenylalanylserylalanyl-. The product's categories are Blood; Clotting Factors Proteins and Derivatives; Coagulation Proteins and ReagentsPeptides for Cell Biology; Extracellular Matrix Peptides (ECM); Fibrinogen Fragments; Immune Cell Signaling and Blood; Plasma & Blood Proteins. It should be stored at -20 °C. In addition, its molecular formula is C66H95N19O26 and its molecular weight is 1570.57.

The other characteristics of Fibrinopeptide B(human), 1-L-glutamic acid- (9CI) can be summarized as: (1)Nominal mass: 1569 Da; (2)Average mass: 1570.572 Da; (3)Monoisotopic mass: 1569.67 Da; (4)# of Rule of 5 Violations: 3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 45; (10)#H bond donors: 29; (11)#Freely Rotating Bonds: 54; (12)Polar Surface Area: 759.13 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 375.574 cm3; (15)Molar Volume: 1006.405 cm3; (16)Polarizability: 148.889×10-24cm3; (17)Surface Tension: 71.882 dyne/cm; (18)Density: 1.561 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)N
(2)InChI: InChI=1/C66H95N19O26/c1-31(2)53(85-48(90)29-73-55(100)35(67)16-19-49(91)92)64(109)83-42(26-46(69)88)61(106)82-43(27-52(97)98)62(107)81-41(25-45(68)87)60(105)78-37(18-21-51(95)96)57(102)77-36(17-20-50(93)94)56(101)74-28-47(89)76-39(23-33-11-6-4-7-12-33)58(103)80-40(24-34-13-8-5-9-14-34)59(104)84-44(30-86)63(108)75-32(3)54(99)79-38(65(110)111)15-10-22-72-66(70)71/h4-9,11-14,31-32,35-44,53,86H,10,15-30,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,73,100)(H,74,101)(H,75,108)(H,76,89)(H,77,102)(H,78,105)(H,79,99)(H,80,103)(H,81,107)(H,82,106)(H,83,109)(H,84,104)(H,85,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,110,111)(H4,70,71,72)
(3)InChIKey: KPBJTGOVJLITON-UHFFFAOYAC